data_2djr_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 2djr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.585 ' OE2' ' CE1' ' A' ' 68' ' ' HIS . 17.5 tt0 -72.85 -30.41 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.517 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . . . -54.91 -31.36 60.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CD2' HD13 ' A' ' 51' ' ' LEU . 46.2 m95 -53.8 -27.46 29.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -58.87 -15.31 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.489 ' CD1' HD11 ' A' ' 33' ' ' LEU . 42.0 m-85 -109.41 18.19 20.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 48.4 m-85 -150.65 152.12 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.568 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -135.2 130.91 36.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.418 HD13 ' CG ' ' A' ' 26' ' ' ASN . 80.8 mt -76.71 135.72 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.86 158.94 36.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 153.53 69.14 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.379 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . -61.98 -50.81 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 20' ' ' ARG . 6.3 ppt_? 32.71 38.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -171.82 175.69 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 -43.73 97.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -67.08 131.23 45.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.42 ' ND1' ' O ' ' A' ' 25' ' ' PRO . 2.3 p80 -50.42 154.78 2.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.42 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 53.6 Cg_endo -69.75 175.61 7.87 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.418 ' CG ' HD13 ' A' ' 16' ' ' LEU . 20.2 t-20 66.58 39.87 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.442 ' HG2' ' N ' ' A' ' 28' ' ' TYR . 2.7 pm0 -94.61 -36.11 11.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 25.1 m-85 -130.77 164.2 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.25 128.94 46.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.568 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 17.5 m -93.75 115.32 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.9 120.72 13.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -80.82 -0.47 38.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 23.5 mt -90.98 -52.44 4.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.3 p -112.93 -37.62 4.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.5 28.93 4.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -104.98 141.59 36.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -76.55 136.37 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.8 t -134.07 96.14 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.563 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 85.5 p -67.64 162.86 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.42 ' C ' HG22 ' A' ' 44' ' ' VAL . 20.4 mtm105 -120.45 -70.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.3 -170.23 38.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 151.58 69.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.29 70.64 0.71 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 40' ' ' ARG . 83.9 t -122.39 -41.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -71.17 73.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.96 37.75 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -70.59 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.6 m -88.19 82.41 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.6 m -37.78 125.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.96 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.496 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 23.7 mt -58.38 -55.89 29.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.517 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 93.3 m95 -38.73 -52.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -45.9 -43.62 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -71.68 -37.66 70.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 59' ' ' HIS . 68.0 mt -64.07 -42.72 96.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.428 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 14.0 mttm -83.91 -9.08 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t -81.35 -42.09 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -124.68 -38.63 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 88.1 m-70 -89.3 23.3 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -40.05 57.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.92 -38.91 83.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.19 -49.54 77.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 76.6 mt -59.17 -54.94 41.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -55.82 -47.28 77.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -58.44 -53.63 56.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.5 p -60.68 172.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.89 52.25 3.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.585 ' CE1' ' OE2' ' A' ' 9' ' ' GLU . 67.3 m-70 -128.52 88.54 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.36 -84.9 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -109.95 145.37 37.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.778 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' A' ' 68' ' ' HIS . 8.2 pt-20 -90.73 -15.02 30.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.577 ' CB ' ' CE2' ' A' ' 52' ' ' TRP . . . -60.35 -14.06 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.453 ' CZ3' HD11 ' A' ' 51' ' ' LEU . 53.2 m95 -61.24 -25.28 66.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.53 -12.88 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.4 m-85 -113.57 18.19 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 66.6 m-85 -149.92 152.02 34.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.568 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -140.77 129.18 22.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.2 mt -69.66 141.8 53.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.37 141.83 24.04 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.567 0.699 . . . . 0.0 111.121 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' ARG . 54.1 Cg_endo -69.75 153.91 68.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.91 76.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -111.64 -30.64 7.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.03 -50.82 15.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.22 -97.76 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -40.69 150.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -39.51 155.27 0.16 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.721 . . . . 0.0 110.821 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -172.68 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.232 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 62.2 43.77 8.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -114.23 -40.73 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 14.4 m-85 -128.23 152.59 47.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.57 130.75 56.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.568 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 25.9 m -94.01 109.27 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.0 t -60.55 117.14 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -78.37 1.61 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' A' ' 55' ' ' LEU . 14.8 mt -92.93 -52.31 4.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.15 -32.63 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.2 24.24 7.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -88.2 142.95 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.14 118.44 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.2 t -122.87 118.43 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.559 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 53.5 p -103.94 114.03 27.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.415 ' CA ' HG23 ' A' ' 44' ' ' VAL . 9.1 ptm180 -65.39 -45.54 83.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.8 -173.58 7.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -11.76 31.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.25 23.08 8.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.415 HG23 ' CA ' ' A' ' 40' ' ' ARG . 95.1 t -134.96 126.98 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.849 0.357 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' VAL . 7.7 m120 -139.26 166.46 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' ASN . 81.5 t -36.08 124.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.83 -79.98 0.21 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.8 m -133.24 88.68 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -44.09 124.52 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.25 -32.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 24.0 mt -60.49 -47.45 86.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.577 ' CE2' ' CB ' ' A' ' 10' ' ' ALA . 95.3 m95 -48.86 -47.59 42.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -52.52 -36.54 55.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -76.13 -35.43 59.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' HIS . 84.4 mt -67.47 -50.16 60.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -76.52 -9.08 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.8 t -84.06 -38.75 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.3 ptp -128.66 -32.77 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' LEU . 96.0 m-70 -94.92 25.04 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -58.0 -30.84 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -79.01 -38.57 36.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -61.59 -56.28 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -45.11 -54.49 6.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -48.03 -48.1 33.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -48.25 -54.59 13.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -68.4 177.2 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.74 45.98 3.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.457 ' CE1' ' OE1' ' A' ' 9' ' ' GLU . 33.1 m-70 -117.9 114.05 22.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.74 -46.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -88.8 39.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 98.0 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.794 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -92.24 -33.41 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.51 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . . . -51.63 -27.35 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CH2' ' HD2' ' A' ' 40' ' ' ARG . 25.7 m95 -53.23 -29.03 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -58.14 -19.17 30.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CD2' HD13 ' A' ' 33' ' ' LEU . 27.2 m-85 -106.18 18.61 21.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.563 ' CD2' HD23 ' A' ' 51' ' ' LEU . 25.5 m-85 -150.01 156.55 41.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.581 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.04 123.54 13.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.32 150.87 24.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.74 144.83 30.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.02 36.95 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.85 137.88 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -111.43 72.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 40.49 41.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.92 -110.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -58.26 169.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -74.69 156.45 86.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -6.33 18.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -107.01 48.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.452 ' O ' ' NH2' ' A' ' 40' ' ' ARG . 5.0 tp60 -93.08 -60.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 19.7 m-85 -123.13 165.18 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -118.11 123.49 45.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.581 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 39.7 m -87.13 111.46 20.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.4 t -62.43 117.76 6.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -76.62 -3.85 39.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 13' ' ' TYR . 23.4 mt -88.73 -54.91 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.46 -39.8 5.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.32 28.72 4.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -106.04 144.07 33.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -82.95 130.54 35.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.0 t -136.09 111.7 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.563 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 66.4 p -86.23 134.95 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.587 ' H ' ' NE ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -117.94 -31.6 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.438 ' O ' ' NH1' ' A' ' 40' ' ' ARG . . . 141.77 161.13 8.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.78 15.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.51 87.8 0.39 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -120.76 117.68 53.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -123.8 -66.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.79 174.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.63 173.53 41.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.8 m -71.85 79.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.9 m -40.53 123.39 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' ' 40' ' ' ARG . . . -35.45 -39.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 14' ' ' PHE . 29.9 mt -50.63 -48.12 58.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.51 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 82.9 m95 -52.87 -50.01 64.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -49.63 -40.43 39.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -72.02 -43.0 65.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 59' ' ' HIS . 33.9 mt -61.01 -49.35 77.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 2.4 mtpm? -75.23 -9.5 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 t -84.61 -42.07 15.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.7 ptp -123.33 -33.11 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 95.4 m-70 -95.56 26.3 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.791 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -54.44 -35.36 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.81 -41.75 64.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.31 -43.66 98.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 77.2 mt -63.05 -58.93 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -51.97 -45.63 64.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -49.53 -50.55 41.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 m -68.51 -57.54 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.96 43.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -126.39 92.7 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -126.38 -57.29 0.15 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -84.81 35.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.813 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -46.72 -35.89 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.466 ' HB2' ' NE1' ' A' ' 52' ' ' TRP . . . -51.02 -37.49 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -52.93 -30.61 35.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -57.29 -20.28 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.626 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 25.1 m-85 -105.12 17.95 23.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 17.0 m-85 -151.79 159.45 43.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.566 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.66 127.21 16.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.7 mt -59.34 138.14 57.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.9 138.74 24.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 134.62 28.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . -87.15 -67.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.0 ptm180 33.87 38.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -126.23 -62.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.98 -39.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.22 157.42 22.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -55.51 152.78 16.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.88 17.85 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.734 2.289 . . . . 0.0 112.329 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 62.7 40.11 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -70.56 -72.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 39' ' ' SER . 3.0 m-85 -115.92 165.87 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.62 148.11 34.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.566 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 7.8 m -110.88 111.54 22.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -59.09 116.29 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -76.99 -2.83 35.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 19.3 mt -90.3 -54.34 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.2 p -108.17 -40.14 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.66 25.36 5.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -97.23 154.37 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 8.1 mp0 -84.78 128.16 34.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 67.5 t -134.44 110.12 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 8.8 t -81.84 154.32 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -52.49 -43.19 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 48.39 -175.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 157.14 61.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.55 61.51 7.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.77 -37.12 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' VAL . 6.6 p30 -84.97 -37.41 20.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' ASN . 7.4 p -35.05 -45.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.94 -56.25 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.1 m -81.24 91.09 6.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 111.155 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' TRP . 4.3 m -47.76 127.33 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.31 -37.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.502 HD21 ' CD2' ' A' ' 14' ' ' PHE . 20.5 mt -56.65 -47.6 79.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 10' ' ' ALA . 86.8 m95 -48.4 -45.55 36.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -54.26 -35.3 62.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -78.95 -43.21 25.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.474 ' O ' ' C ' ' A' ' 59' ' ' HIS . 36.1 mt -60.79 -47.57 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -76.82 -9.46 58.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -83.78 -40.94 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.8 ptp -125.72 -34.12 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.8 m-70 -93.65 25.44 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -55.31 -35.24 64.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.64 -39.91 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.72 -50.83 71.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.7 mt -54.53 -60.46 3.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -52.56 -42.64 64.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -55.18 -42.68 73.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -85.2 36.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.12 74.02 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -128.06 -46.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.11 -100.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.54 134.55 36.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.84 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.785 0.326 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -47.95 -34.85 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HB3' ' NE1' ' A' ' 52' ' ' TRP . . . -50.57 -35.27 29.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -52.94 -31.76 42.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -56.85 -16.99 7.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CD2' HD12 ' A' ' 33' ' ' LEU . 28.9 m-85 -108.69 19.22 19.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 79.3 m-85 -151.7 152.24 32.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -137.62 129.24 28.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD11 ' ND2' ' A' ' 26' ' ' ASN . 97.8 mt -64.83 141.17 58.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.89 144.9 28.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.728 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 155.7 65.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.41 97.36 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -110.33 -52.06 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.06 -55.54 11.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.95 -30.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' HIS . 36.8 m80 -78.18 153.13 32.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.815 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -37.63 155.59 0.1 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.644 0.735 . . . . 0.0 110.838 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 169.56 18.7 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.463 ' ND2' HD11 ' A' ' 16' ' ' LEU . 18.7 t-20 74.57 33.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -64.82 -72.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 3.1 m-85 -120.25 161.64 20.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.77 128.62 48.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.582 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 9.2 m -94.99 110.82 22.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.5 t -57.91 130.61 47.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -89.01 1.12 56.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 54.1 mt -94.29 -47.2 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.5 p -121.85 -37.25 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.03 27.77 5.24 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -88.3 138.55 31.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -78.61 116.64 19.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.02 125.1 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.555 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 47.5 p -94.94 165.08 12.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -122.54 -47.76 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.98 -166.42 53.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 178.98 4.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.282 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.21 69.38 0.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' A' ' 45' ' ' ASN . 14.6 p -131.56 164.78 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 11.7 t-20 72.55 39.82 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.2 t -104.88 -41.06 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.25 -76.03 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' THR . 57.6 m -115.46 85.83 2.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.873 0.368 . . . . 0.0 111.157 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.8 m -37.75 128.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.48 -33.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.535 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 24.0 mt -57.38 -50.36 73.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.467 ' NE1' ' HB3' ' A' ' 10' ' ' ALA . 90.0 m95 -48.36 -52.29 22.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -43.45 -42.33 4.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.83 -47.88 57.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 59' ' ' HIS . 25.9 mt -56.5 -45.01 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -78.98 -9.15 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.3 t -84.15 -37.88 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.1 ptp -128.82 -34.98 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.0 m-70 -93.12 24.99 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -54.85 -35.0 63.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 43.7 mt-10 -74.19 -39.47 63.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.65 -44.83 96.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.5 mt -63.05 -58.1 8.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -52.85 -43.05 65.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 10.4 mmmt -52.63 -53.25 49.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.9 m -74.98 159.15 32.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' SER . . . -34.5 -42.81 0.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -55.42 100.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' GLN . . . -120.0 130.95 8.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' GLY . 28.2 pt20 34.91 42.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.812 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -98.99 -31.43 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.512 ' HB1' ' CE2' ' A' ' 52' ' ' TRP . . . -52.65 -25.3 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -52.87 -32.0 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -56.98 -19.07 16.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD2' HD13 ' A' ' 33' ' ' LEU . 52.9 m-85 -104.5 17.33 24.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.477 ' CG ' HD21 ' A' ' 51' ' ' LEU . 96.8 m-85 -150.22 156.74 42.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.572 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -142.26 130.74 22.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -68.23 144.68 54.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.0 152.68 43.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.556 0.693 . . . . 0.0 111.135 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 135.16 29.6 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.92 144.67 34.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -96.73 -53.17 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.84 172.93 12.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 23' ' ' HIS . . . -41.08 -37.95 1.62 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.545 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' GLY . 18.0 m170 -37.18 109.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.446 ' N ' ' CD2' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -49.96 154.93 1.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 110.884 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.13 2.92 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.372 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.54 40.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -84.62 -70.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 46.6 m-85 -126.54 146.92 49.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.403 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . . . -104.46 125.93 51.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.572 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 29.6 m -90.58 111.04 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 10.2 t -60.64 127.31 31.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -86.59 0.73 53.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 61.5 mt -93.27 -49.28 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.23 -38.46 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.69 31.64 3.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -103.19 139.66 38.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 14.9 mp0 -77.85 127.98 33.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.2 t -135.41 118.43 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.546 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 34.4 p -84.97 165.57 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . 12.3 mmp_? -84.87 -47.05 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.29 176.59 41.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.525 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 104.62 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.264 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.83 73.24 1.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.456 ' CG2' HG21 ' A' ' 49' ' ' THR . 2.8 p -116.61 -7.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -101.31 -32.18 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -37.1 -32.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' THR . . . -178.85 -136.26 2.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' GLY . 22.6 m -33.9 105.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 111.154 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.8 m -58.93 126.31 27.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.86 -33.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.477 HD21 ' CG ' ' A' ' 14' ' ' PHE . 15.0 mt -56.62 -49.26 75.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.512 ' CE2' ' HB1' ' A' ' 10' ' ' ALA . 96.6 m95 -53.9 -53.46 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -40.05 -42.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -72.35 -45.03 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' HIS . 57.4 mt -57.93 -45.18 86.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -79.03 -9.51 59.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 t -83.01 -38.68 22.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.4 ptp -129.13 -36.31 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.0 m-70 -90.31 18.58 5.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.75 -36.59 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -76.69 -40.29 49.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.44 -46.58 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 75.9 mt -58.79 -53.06 62.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -44.23 -47.33 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -56.74 -45.4 82.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.2 m -64.64 -56.85 11.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.17 43.45 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -121.77 82.6 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.95 -53.33 34.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -130.5 -51.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.4 -37.49 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.523 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . . . -51.95 -30.63 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -53.49 -29.27 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -58.02 -18.99 27.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CD2' HD11 ' A' ' 33' ' ' LEU . 49.9 m-85 -105.61 18.29 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 35.9 m-85 -151.09 159.33 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.575 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.87 127.94 17.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.93 145.01 56.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.94 158.89 39.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 111.062 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 144.68 54.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.29 167.09 13.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 10.6 ptm180 -103.03 150.73 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -33.93 106.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.63 -73.2 0.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -83.44 141.9 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.472 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 4.0 p80 -77.67 158.41 78.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.79 2.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -96.31 44.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -98.6 -34.69 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 68.0 m-85 -155.65 161.75 40.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.61 135.28 53.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.575 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 10.6 m -102.05 111.47 23.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.05 126.02 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -84.15 1.28 45.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 94.7 mt -94.07 -50.99 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.59 -36.35 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.66 25.05 6.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.425 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -90.39 136.37 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -79.23 123.97 27.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.1 t -126.31 110.63 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.569 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 92.3 p -87.11 138.99 31.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 41' ' ' GLY . 10.8 ptm180 -110.23 -41.42 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 40' ' ' ARG . . . 112.42 164.02 16.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -50.33 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.75 84.47 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 40' ' ' ARG . 92.0 t -126.79 101.48 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -119.22 81.86 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -130.98 172.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.88 -37.54 15.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.2 m -102.95 97.36 7.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.4 m -51.12 128.5 21.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.52 -34.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.457 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 17.7 mt -58.55 -53.13 61.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 87.6 m95 -40.04 -52.32 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.91 -42.88 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -69.71 -41.24 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 59' ' ' HIS . 44.4 mt -62.33 -47.3 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -76.83 -9.47 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.0 t -82.98 -42.41 17.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.8 ptp -124.31 -34.15 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.9 m-70 -93.97 24.94 3.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -53.08 -33.08 50.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -76.12 -45.8 32.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.21 -51.71 65.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.4 mt -52.0 -63.2 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -45.98 -45.33 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -52.17 -46.14 65.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.9 m -88.75 16.78 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.07 68.37 1.72 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -124.24 82.18 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -131.66 -39.38 0.24 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -41.16 -28.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.84 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -85.78 -32.83 21.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.507 ' HB2' ' CD2' ' A' ' 52' ' ' TRP . . . -51.8 -25.44 7.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.456 ' CH2' HD21 ' A' ' 16' ' ' LEU . 33.2 m95 -52.55 -28.33 20.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -56.67 -22.74 36.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CD1' HD13 ' A' ' 33' ' ' LEU . 37.9 m-85 -101.66 16.8 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 93.3 m-85 -146.58 157.33 43.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.585 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.12 125.14 14.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.456 HD21 ' CH2' ' A' ' 11' ' ' TRP . 69.9 mt -63.22 152.64 36.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.77 148.27 36.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.533 0.683 . . . . 0.0 111.131 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 157.86 59.02 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.16 120.52 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -92.31 -47.82 6.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.73 150.38 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.86 -56.4 0.49 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.52 157.52 37.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.55 153.24 62.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 3.2 2.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -101.25 31.67 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -67.98 -70.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.553 ' CD1' ' HB2' ' A' ' 39' ' ' SER . 3.5 m-85 -125.64 166.4 16.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.45 128.47 56.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.585 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 20.8 m -92.44 114.63 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 6.6 t -64.07 116.25 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.98 -4.71 45.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 17.0 mt -86.95 -54.55 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.34 -41.2 5.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.01 29.32 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -99.77 158.61 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -90.63 123.89 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -135.51 121.35 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.553 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 7.5 t -106.01 130.44 53.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.406 ' C ' HG22 ' A' ' 44' ' ' VAL . 8.8 mtp-105 -59.92 -64.86 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.51 163.61 11.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -1.56 8.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -178.5 69.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.406 HG22 ' C ' ' A' ' 40' ' ' ARG . 96.5 t -92.44 119.8 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -53.87 159.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.2 t -79.15 85.92 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.79 -113.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.7 m -70.84 76.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 111.135 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.7 m -45.99 125.7 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.1 -37.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 24.0 mt -52.25 -55.01 24.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.507 ' CD2' ' HB2' ' A' ' 10' ' ' ALA . 88.3 m95 -48.63 -52.8 21.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -46.69 -43.37 17.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -69.96 -36.98 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 59' ' ' HIS . 65.5 mt -65.66 -46.36 79.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -77.16 -9.56 58.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -84.28 -43.43 14.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.4 ptp -122.09 -36.39 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.3 m-70 -90.97 23.48 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -52.67 -38.05 59.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -70.53 -40.88 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.7 -45.56 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.19 -54.52 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.15 -44.03 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.91 -44.21 85.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.2 m -64.0 174.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' HIS . . . -68.02 -42.1 85.76 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' GLY . 33.1 m-70 -35.58 149.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.85 -38.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.82 76.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.825 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -91.07 -35.08 14.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.52 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -49.32 -29.82 6.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -52.76 -30.31 32.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -56.82 -21.6 30.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.8 m-85 -103.77 18.18 22.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 50.8 m-85 -150.94 156.87 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.579 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -137.42 129.81 29.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.8 mt -71.27 146.81 48.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.94 155.39 43.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.561 0.696 . . . . 0.0 111.111 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 141.41 45.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.87 113.66 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -109.66 -48.3 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.71 37.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' HIS . . . 75.07 -62.69 2.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' GLY . 5.9 m170 -35.74 137.09 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.462 ' N ' ' CD2' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -40.97 154.14 0.22 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -2.56 10.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -88.81 42.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -80.31 -74.91 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 39' ' ' SER . 3.4 m-85 -118.45 173.91 6.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.23 124.24 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.579 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 29.8 m -88.93 118.03 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.44 119.66 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -80.71 0.19 35.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.57 HD13 ' CD2' ' A' ' 59' ' ' HIS . 20.7 mt -92.02 -51.26 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.7 p -114.09 -37.65 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.37 26.6 5.35 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.431 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -98.45 142.99 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.462 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 16.1 mp0 -81.57 127.74 33.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.8 t -134.14 111.82 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 57.0 p -95.64 147.3 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.8 mtm-85 -93.23 -54.65 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.45 179.74 20.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.5 68.47 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.3 p -46.99 135.31 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -70.32 148.55 48.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.6 t -79.41 89.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.71 -114.13 0.45 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.0 m -79.93 83.19 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.866 0.365 . . . . 0.0 111.149 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.42 127.1 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.27 -37.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.488 HD22 ' CD2' ' A' ' 14' ' ' PHE . 23.0 mt -54.62 -49.73 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 82.3 m95 -48.2 -48.07 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -50.89 -38.63 50.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -74.45 -42.37 59.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 59' ' ' HIS . 37.8 mt -61.25 -50.05 74.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -74.24 -9.37 58.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 t -83.44 -41.32 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.468 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.6 ptp -126.08 -33.96 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.57 ' CD2' HD13 ' A' ' 33' ' ' LEU . 91.4 m-70 -95.07 26.34 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.4 ttm105 -54.94 -32.83 61.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -76.13 -44.58 37.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.08 -47.86 74.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.5 mt -54.93 -57.79 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -46.67 -48.87 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -52.15 -36.01 50.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -85.41 32.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.93 50.13 27.62 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -114.53 106.01 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.796 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.27 136.46 7.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 62.37 35.89 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.9 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.823 0.344 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -69.92 -36.23 75.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . . . -49.36 -36.33 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -54.01 -29.22 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.86 -8.68 5.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CD2' HD11 ' A' ' 33' ' ' LEU . 31.6 m-85 -117.42 18.85 14.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 35.9 m-85 -152.29 155.89 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.574 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -142.29 127.1 18.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.62 141.51 58.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.65 142.87 26.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 146.73 61.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.36 157.92 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 10.3 ptp85 -112.12 -44.89 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' ARG . . . -80.86 176.32 9.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.6 -36.92 2.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -44.42 121.07 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -48.28 157.5 0.67 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.0 3.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.313 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -109.45 79.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -104.8 -71.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 2.8 m-85 -121.72 168.39 11.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.69 122.43 46.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.574 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 43.1 m -88.01 111.53 21.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.38 120.51 10.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -82.72 -0.2 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 16.5 mt -93.51 -49.4 5.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -112.53 -37.87 4.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.6 26.14 6.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -101.1 145.5 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -86.99 127.85 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.5 t -133.23 122.95 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.527 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 34.8 p -79.32 153.79 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -74.31 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.98 170.09 43.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 97.85 0.66 Allowed 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.36 47.66 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.445 ' CG1' ' OD1' ' A' ' 45' ' ' ASN . 8.2 p -103.55 164.52 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 111.102 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.445 ' OD1' ' CG1' ' A' ' 44' ' ' VAL . 2.4 p-10 45.97 43.03 10.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.6 t -125.19 -40.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.56 -56.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' THR . 26.1 m -131.33 85.96 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 111.195 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -37.88 125.32 1.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.445 ' HA ' ' CE ' ' A' ' 53' ' ' LYS . . . -39.63 -32.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.557 HD21 ' CD2' ' A' ' 14' ' ' PHE . 16.4 mt -63.07 -43.55 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.491 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 70.9 m95 -50.93 -41.18 58.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.445 ' CE ' ' HA ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -60.52 -28.88 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -86.43 -34.03 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 59' ' ' HIS . 50.3 mt -69.16 -47.53 64.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -77.55 -9.89 59.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -86.13 -39.69 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 2.8 ptp -122.86 -36.13 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.6 m-70 -94.64 26.1 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -52.81 -38.1 60.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -70.0 -43.13 72.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.6 -30.93 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 55' ' ' LEU . 81.3 mt -77.35 -60.79 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -53.42 -52.01 60.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -45.22 -31.62 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.3 t -89.44 -53.88 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.58 32.47 0.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -116.48 36.76 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.92 -59.44 4.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -99.14 74.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -91.92 -25.21 19.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.486 ' HB3' ' CD2' ' A' ' 52' ' ' TRP . . . -58.04 -20.97 43.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -51.05 -28.26 9.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.667 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 15.4 pt-20 -54.89 -27.07 39.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.667 ' CE1' ' CG ' ' A' ' 12' ' ' GLU . 26.6 m-85 -99.7 19.08 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 85.6 m-85 -148.1 157.69 43.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.578 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -141.52 129.23 21.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD12 ' ND2' ' A' ' 26' ' ' ASN . 35.5 mt -64.83 146.37 54.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.86 136.62 26.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.1 66.75 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.649 2.232 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.62 96.17 10.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.056 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -69.56 70.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 38.19 43.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.82 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -58.75 112.25 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 56.8 t-80 -42.51 140.71 1.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 53.3 Cg_endo -69.8 178.42 4.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.461 ' ND2' HD12 ' A' ' 16' ' ' LEU . 5.1 m120 49.48 37.65 12.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -91.25 -70.98 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 3.1 m-85 -115.97 162.47 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.4 140.18 48.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.578 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 21.2 m -103.44 117.1 33.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.9 t -63.74 121.87 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.459 ' NE ' ' HB3' ' A' ' 15' ' ' HIS . 81.5 mtt-85 -81.72 -3.91 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 59' ' ' HIS . 54.4 mt -89.77 -53.93 4.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -106.33 -42.46 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.29 25.97 5.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -94.44 173.75 7.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -108.93 126.59 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.0 t -135.23 111.75 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.555 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 54.2 p -89.59 153.46 20.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 41' ' ' GLY . 9.6 ptm180 -110.79 -46.66 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 40' ' ' ARG . . . 115.64 168.29 15.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -0.35 6.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 44' ' ' VAL . . . -141.9 -69.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 43' ' ' GLY . 7.2 p 44.55 31.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -82.65 79.54 9.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.69 -45.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.7 -67.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' THR . 42.2 m -82.4 86.55 6.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 3.0 m -36.5 129.55 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.47 -36.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 20.7 mt -56.89 -54.58 44.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.486 ' CD2' ' HB3' ' A' ' 10' ' ' ALA . 86.4 m95 -46.72 -53.99 10.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -45.79 -44.07 13.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -68.08 -43.81 77.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' HIS . 49.8 mt -60.59 -47.57 85.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -75.9 -9.72 58.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.6 t -84.28 -39.68 18.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.3 ptp -126.97 -34.75 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.515 ' CG ' HD11 ' A' ' 33' ' ' LEU . 96.3 m-70 -92.87 20.19 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -47.88 -36.87 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.69 -47.04 56.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -56.05 -32.26 63.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.3 mt -76.42 -55.17 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.69 -51.96 65.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 66' ' ' SER . 41.1 pttt -47.64 -32.22 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.1 t -90.07 -69.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.96 35.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -121.19 39.63 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.69 -57.19 2.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.539 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -88.19 81.53 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.851 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -82.55 -38.71 23.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.33 -33.36 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -52.81 -32.5 44.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.03 -14.61 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -110.15 19.09 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 51' ' ' LEU . 98.1 m-85 -149.36 154.15 38.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.579 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -138.51 129.99 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.45 148.78 47.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.96 143.94 28.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.56 67.68 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.96 140.0 52.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -129.08 -55.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.65 -44.66 47.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.88 89.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' HIS . 13.3 p80 -174.59 124.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.563 ' CD2' ' HD2' ' A' ' 25' ' ' PRO . 1.8 t-80 -38.15 139.61 0.63 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.525 0.678 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.563 ' HD2' ' CD2' ' A' ' 24' ' ' HIS . 54.2 Cg_endo -69.74 2.98 3.03 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.414 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -100.66 38.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -81.97 -60.75 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 9.8 m-85 -139.38 153.96 47.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.62 130.34 56.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.579 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 27.8 m -94.53 116.78 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 8.6 t -63.73 126.07 26.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -86.85 -0.9 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 59' ' ' HIS . 31.1 mt -91.86 -48.1 6.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.6 p -118.84 -39.55 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 37' ' ' GLN . . . 111.6 23.17 5.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -89.52 142.57 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.763 0.316 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 6.0 mp0 -85.1 122.82 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.32 116.12 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.563 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 90.1 p -100.94 161.81 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -97.81 -48.86 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.3 -177.21 23.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.76 145.19 56.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . 34.04 87.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 45' ' ' ASN . 95.6 t -120.37 143.57 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.104 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.431 ' N ' HG11 ' A' ' 44' ' ' VAL . 4.1 t-20 -175.06 116.24 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.464 HG21 ' N ' ' A' ' 47' ' ' GLY . 5.7 p -168.15 137.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.464 ' N ' HG21 ' A' ' 46' ' ' VAL . . . -45.77 -33.27 4.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.441 ' CG2' ' HE3' ' A' ' 53' ' ' LYS . 91.8 m -96.31 90.36 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 111.14 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 51' ' ' LEU . 15.1 m -44.85 124.72 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.94 -33.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 23.9 mt -57.74 -56.89 16.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -38.6 -54.76 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.441 ' HE3' ' CG2' ' A' ' 48' ' ' THR . 1.4 mptm? -39.85 -46.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -69.65 -45.72 67.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 59' ' ' HIS . 71.6 mt -56.48 -47.37 79.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.473 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 18.4 mttm -78.12 -9.34 59.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.9 t -81.98 -41.61 20.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.2 ptp -127.1 -33.99 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.564 ' CD2' HD13 ' A' ' 33' ' ' LEU . 85.8 m-70 -92.94 24.39 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' CZ ' ' OE2' ' A' ' 64' ' ' GLU . 72.3 ttt-85 -53.05 -39.09 62.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -69.91 -38.82 76.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.68 -40.82 93.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 74.1 mt -69.47 -54.41 14.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' OE2' ' CZ ' ' A' ' 60' ' ' ARG . 24.3 mt-10 -53.41 -41.01 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 1.4 tmmm? -74.23 -55.03 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.6 p -44.41 -42.37 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.69 54.29 2.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -91.63 45.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.87 -179.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -78.75 64.38 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.936 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.77 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' HG2' ' CE1' ' A' ' 68' ' ' HIS . 5.5 tp10 -80.01 -33.86 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.431 ' HB1' ' CE2' ' A' ' 52' ' ' TRP . . . -50.61 -30.03 12.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.47 ' CD2' HD13 ' A' ' 51' ' ' LEU . 41.3 m95 -53.35 -29.97 36.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.82 -11.63 3.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CD2' HD11 ' A' ' 33' ' ' LEU . 44.9 m-85 -112.93 18.45 18.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 88.9 m-85 -150.59 156.19 40.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.57 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.03 127.8 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.39 134.12 45.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.95 152.02 42.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 150.32 68.23 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.56 92.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -106.71 118.88 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 44.4 43.0 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.91 -166.85 20.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -70.4 173.05 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.409 ' ND1' ' C ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -41.41 157.6 0.2 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.54 0.686 . . . . 0.0 110.916 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -171.68 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.649 2.232 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 59.46 40.57 20.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -109.22 -40.31 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 37.3 m-85 -124.28 143.18 50.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.55 122.92 47.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.57 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 21.7 m -90.27 110.99 22.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 7.4 t -61.71 122.71 16.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -83.05 1.06 42.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 29.8 mt -93.4 -50.48 5.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -112.8 -37.48 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.15 29.29 4.91 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -104.71 146.15 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -86.51 131.21 34.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.65 98.92 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 69.5 p -58.81 114.85 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.7 ttp-105 -54.39 -60.62 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.33 -162.75 13.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' VAL . 53.7 Cg_endo -69.78 -163.72 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . -34.2 93.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 42' ' ' PRO . 10.0 p -102.51 37.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 111.113 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -89.5 73.24 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -134.77 147.97 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.3 -33.71 2.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.8 m -103.74 84.74 2.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 111.171 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.9 m -50.68 129.93 23.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.16 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 11' ' ' TRP . 16.0 mt -62.72 -54.94 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.431 ' CE2' ' HB1' ' A' ' 10' ' ' ALA . 96.9 m95 -40.82 -54.64 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -39.41 -43.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -73.14 -44.39 60.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 59' ' ' HIS . 66.3 mt -59.08 -34.16 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -92.31 -8.84 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -83.11 -37.5 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.493 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -128.7 -39.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.522 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.0 m-70 -88.83 22.42 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -49.14 -39.49 28.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -71.66 -41.17 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -56.79 -51.12 70.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 55' ' ' LEU . 89.7 mt -59.66 -62.27 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -39.21 -47.74 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -50.17 -53.13 29.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -75.75 -175.54 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.29 46.18 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.442 ' CE1' ' HG2' ' A' ' 9' ' ' GLU . 69.7 m-70 -126.63 39.21 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.7 7.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -131.61 131.85 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.843 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.8 -48.51 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.423 ' CB ' HD13 ' A' ' 55' ' ' LEU . . . -48.14 -27.22 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -53.05 -32.34 46.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.99 -16.84 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.467 ' CD2' HD11 ' A' ' 33' ' ' LEU . 32.0 m-85 -108.19 18.58 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 51' ' ' LEU . 98.1 m-85 -152.28 155.54 37.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.572 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -144.15 128.59 17.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -69.01 141.3 54.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.3 151.9 37.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.101 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 141.63 45.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.46 96.47 5.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.063 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -107.39 -44.06 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.63 -53.16 25.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.92 -72.3 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.51 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -46.95 146.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.33 158.31 0.77 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -168.06 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 59.04 41.35 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -106.14 -44.37 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 34.3 m-85 -129.05 150.03 50.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.46 126.34 55.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.572 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 30.6 m -87.58 112.38 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 9.8 t -64.09 128.49 36.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -84.75 -7.08 59.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.1 mt -84.43 -55.88 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -105.55 -43.54 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.74 31.76 2.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -110.45 143.89 40.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -82.43 127.77 33.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -126.02 103.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.562 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 20.6 p -73.71 142.67 46.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -51.38 -60.6 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.48 -178.82 16.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -46.15 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.14 52.57 0.6 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 45' ' ' ASN . 14.4 p -54.64 143.59 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.172 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.46 ' N ' HG22 ' A' ' 44' ' ' VAL . 2.5 m120 -75.7 122.89 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.67 -51.14 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.11 -72.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -86.86 86.54 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.15 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.4 m -45.19 126.28 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.41 -36.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.053 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 25.6 mt -55.69 -53.58 54.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -46.26 -53.48 10.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -40.07 -43.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -74.38 -41.06 61.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 59' ' ' HIS . 56.8 mt -60.96 -33.6 73.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -92.3 -8.55 44.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -82.82 -41.58 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -125.24 -37.45 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 89.7 m-70 -90.42 24.23 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -54.66 -34.33 62.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -76.34 -40.86 50.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.13 -42.15 94.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.94 -58.91 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.46 -43.11 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -53.82 -49.08 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.22 35.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' HIS . . . 58.12 -92.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' GLY . 28.2 m-70 34.55 39.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.91 -51.81 42.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -98.15 78.1 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.946 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.767 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -92.62 -34.49 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.521 ' HB1' ' CE2' ' A' ' 52' ' ' TRP . . . -54.05 -26.98 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -53.85 -26.37 24.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -59.82 -20.1 54.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CD2' HD11 ' A' ' 33' ' ' LEU . 36.9 m-85 -107.25 19.22 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 95.4 m-85 -150.98 157.43 42.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.572 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.91 128.76 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.5 mt -69.08 137.41 53.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.93 143.97 28.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.07 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 160.77 48.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.25 111.85 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.2 -18.02 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.84 -48.89 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.62 -53.14 0.44 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' HIS . 2.0 t-80 -48.94 137.93 12.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -36.47 155.16 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.707 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 174.21 9.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 63.7 44.12 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -94.77 -40.19 9.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 24.3 m-85 -138.7 148.89 44.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.61 132.73 50.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.572 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 11.4 m -96.59 110.6 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.543 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 9.0 t -58.22 121.43 10.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -82.27 3.79 26.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 30.3 mt -96.86 -47.09 5.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -123.45 -33.95 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.91 18.48 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -78.85 140.03 38.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -85.69 112.15 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.5 t -114.42 119.52 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 60.5 p -100.06 119.04 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 -48.43 -71.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.54 -175.08 22.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.18 77.96 1.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.1 m -125.14 -6.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -94.14 48.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.8 m -110.06 -10.58 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.54 -48.72 0.95 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 m -90.87 99.55 12.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' ALA . 3.4 m -58.09 125.61 23.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.94 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.547 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 33.7 mt -55.73 -49.03 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.521 ' CE2' ' HB1' ' A' ' 10' ' ' ALA . 95.8 m95 -53.93 -50.22 66.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -46.47 -42.18 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -73.01 -41.71 63.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 59' ' ' HIS . 59.1 mt -59.57 -48.69 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 30.0 mttt -76.96 -9.67 58.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -82.7 -38.97 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.2 ptp -127.67 -33.09 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.2 m-70 -96.21 26.61 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -53.43 -32.68 50.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.38 -46.91 37.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -54.19 -56.12 21.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 91.8 mt -49.65 -58.95 4.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.56 -39.8 71.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.67 -47.28 82.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 m -70.71 -175.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.99 44.87 3.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -107.4 81.57 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.93 115.94 5.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 51.26 42.96 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.79 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.849 0.357 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -89.79 -41.88 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.83 -26.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -52.41 -32.77 40.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -56.37 -20.03 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CD2' HD13 ' A' ' 33' ' ' LEU . 28.0 m-85 -104.7 18.49 22.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 87.4 m-85 -150.78 146.64 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.586 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -133.61 122.44 23.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.42 HD11 ' CG ' ' A' ' 26' ' ' ASN . 20.8 mt -67.01 142.96 57.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.37 155.59 36.21 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 111.12 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 135.89 31.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.55 120.8 36.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -127.01 -32.54 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.21 -45.99 17.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.6 21.07 0.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -114.69 167.3 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.546 ' CE1' ' O ' ' A' ' 25' ' ' PRO . 11.1 t-80 -43.4 134.55 3.42 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.616 0.722 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.546 ' O ' ' CE1' ' A' ' 24' ' ' HIS . 53.8 Cg_endo -69.75 149.18 66.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.42 ' CG ' HD11 ' A' ' 16' ' ' LEU . 71.4 m-20 58.49 47.66 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.568 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 5.4 pt20 -84.69 -45.8 12.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 51.4 m-85 -106.66 156.09 18.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.11 136.93 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.586 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 12.2 m -101.74 109.84 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.5 t -58.16 120.53 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -79.37 -2.97 44.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 13' ' ' TYR . 34.4 mt -89.71 -51.66 5.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -112.52 -40.87 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.22 29.33 4.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -103.35 139.97 38.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -73.39 130.67 40.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.0 t -132.32 110.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 85.8 p -78.38 152.83 32.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -88.69 -45.9 9.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.0 164.52 8.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 82.35 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.365 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.67 43.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.9 p -111.14 33.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 46' ' ' VAL . 8.6 t-20 -116.45 -34.48 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' ASN . 92.7 t -33.76 -43.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.74 -73.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 m -59.28 87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 111.137 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.8 m -54.8 126.62 24.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.88 -38.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 21.7 mt -55.41 -53.41 56.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -48.34 -52.27 22.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -46.6 -41.93 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -72.15 -44.08 63.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CD2' ' CD1' ' A' ' 33' ' ' LEU . 39.9 mt -59.0 -47.58 84.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.467 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 2.0 mtpm? -77.65 -9.62 59.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.7 t -82.66 -42.25 18.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.9 ptp -124.75 -35.4 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.946 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.3 m-70 -92.0 22.98 3.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -51.79 -37.67 52.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -70.26 -40.02 74.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.91 -49.93 74.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 70.4 mt -55.48 -53.94 50.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -50.51 -48.51 56.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -49.41 -47.05 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -84.69 32.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.98 45.7 9.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -112.74 -63.59 1.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 45.08 -110.56 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -91.27 43.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.813 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -89.42 -25.1 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.52 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -54.66 -21.82 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.409 ' CD2' HD13 ' A' ' 51' ' ' LEU . 34.4 m95 -53.25 -26.33 17.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -59.86 -20.54 57.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CD2' HD13 ' A' ' 33' ' ' LEU . 26.2 m-85 -104.65 18.07 22.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 77.0 m-85 -150.79 152.92 34.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.576 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -140.92 122.08 14.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.8 mt -64.26 142.14 58.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.02 143.01 25.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 111.084 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.56 68.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.38 117.19 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -87.72 34.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.7 173.46 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.04 -42.44 87.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.437 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -39.78 134.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 2.2 t-80 -43.69 140.76 2.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.634 0.73 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 54.6 Cg_endo -69.72 -27.04 27.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.52 69.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -95.93 -48.9 5.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 39' ' ' SER . 34.7 m-85 -132.28 169.05 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.66 141.02 52.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.576 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 15.6 m -102.41 110.88 22.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 4.0 t -62.02 112.03 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 15.4 mtp-105 -71.53 -4.44 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 16.9 mt -87.95 -55.67 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -109.09 -35.46 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.93 28.91 6.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -99.29 145.8 26.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -83.7 122.03 28.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 80.0 t -125.2 128.53 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.193 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.524 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 4.2 t -87.34 164.32 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -102.11 -61.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.27 174.4 45.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 117.44 5.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.71 -27.87 4.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.445 HG11 ' N ' ' A' ' 45' ' ' ASN . 9.9 p -54.43 -22.92 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.088 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.445 ' N ' HG11 ' A' ' 44' ' ' VAL . 1.8 p30 -54.78 -46.34 74.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.1 111.36 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.73 173.69 13.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.8 m -43.42 103.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 111.12 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.3 m -57.13 126.13 25.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.59 -31.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 25.6 mt -61.67 -48.61 80.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 97.3 m95 -55.37 -46.88 76.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -55.04 -34.19 63.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -78.97 -37.7 38.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 59' ' ' HIS . 47.1 mt -64.39 -50.46 67.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -74.99 -10.74 59.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.37 -40.9 17.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.5 ptp -123.7 -35.61 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.8 m-70 -93.7 25.46 3.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 15.4 ttp-105 -50.38 -36.49 32.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -73.27 -44.84 58.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -53.76 -44.79 70.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.23 -59.36 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -45.23 -42.51 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -66.33 -48.41 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' GLY . 68.9 m -99.45 79.96 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 34.33 -116.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.5 m170 41.92 41.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.95 113.12 4.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 58.03 45.8 17.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.805 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -94.24 -26.15 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.509 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -57.72 -26.03 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -53.04 -31.69 42.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.96 -17.07 8.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CD2' HD12 ' A' ' 33' ' ' LEU . 25.1 m-85 -108.95 19.41 19.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 96.6 m-85 -152.03 155.48 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.567 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -142.7 128.3 19.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.86 139.87 56.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.2 150.27 39.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 148.85 65.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.57 92.81 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 13.7 mtp-105 -103.38 -45.3 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.37 78.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.63 -146.38 7.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -80.59 174.98 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 25' ' ' PRO . 2.2 p80 -50.73 153.44 2.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.819 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.433 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 53.8 Cg_endo -69.8 170.42 16.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 60.69 37.96 18.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -92.64 -51.43 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.51 ' CG ' ' HB3' ' A' ' 39' ' ' SER . 7.2 m-85 -118.96 153.06 35.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.59 126.17 55.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.567 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 28.2 m -91.69 109.01 20.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.8 t -54.66 135.04 47.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -92.15 -1.88 56.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 85.0 mt -91.59 -50.6 5.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.21 -38.55 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 26.26 5.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.431 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -87.82 141.0 28.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.31 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -83.08 110.94 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.6 t -118.87 111.9 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.51 ' HB3' ' CG ' ' A' ' 28' ' ' TYR . 53.8 p -93.01 142.2 27.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.458 ' NE ' HG21 ' A' ' 44' ' ' VAL . 18.9 mtp180 -81.29 -44.11 18.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.92 -164.02 46.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.39 29.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.254 . . . . 0.0 112.328 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.82 42.55 3.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.458 HG21 ' NE ' ' A' ' 40' ' ' ARG . 12.2 p -90.78 -34.98 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' VAL . 66.4 m-80 -35.33 -38.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' GLY . 58.2 t -41.92 109.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -36.93 -37.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' THR . 92.7 m -81.01 76.94 7.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -33.45 133.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.44 -16.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 16.2 mt -62.52 -44.27 96.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.509 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 99.5 m95 -61.83 -57.2 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -38.93 -38.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -77.68 -40.11 42.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 59' ' ' HIS . 34.5 mt -63.72 -49.85 71.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -75.48 -8.99 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.7 t -85.21 -41.77 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 2.5 ptp -123.41 -31.4 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.9 m-70 -98.27 27.36 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -56.81 -35.0 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -73.2 -34.86 66.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.96 -45.6 77.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.4 mt -63.34 -57.84 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 65' ' ' LYS . 25.6 pt-20 -50.51 -46.05 56.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 11.5 tppt? -52.85 -51.38 61.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m -71.05 -176.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.83 44.38 3.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -103.65 40.78 1.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.12 -55.31 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -39.91 -43.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.924 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.81 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.1 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.53 -39.37 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . . . -52.92 -31.64 41.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -53.54 -29.93 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -57.03 -17.9 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.538 ' CD1' HD13 ' A' ' 33' ' ' LEU . 31.0 m-85 -107.42 18.49 21.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 73.0 m-85 -151.7 150.72 30.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.574 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -137.85 126.97 24.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.37 144.1 57.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.67 144.11 29.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 111.085 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 156.74 62.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.65 2.233 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.02 100.61 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.036 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -75.96 -46.85 27.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.71 174.97 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.23 -133.02 13.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -82.91 158.47 22.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.5 156.85 15.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.54 0.686 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -176.75 1.58 Allowed 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.677 2.252 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 63.03 42.31 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -114.15 -43.23 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 39' ' ' SER . 16.1 m-85 -116.28 148.25 40.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.96 128.72 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.574 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 7.0 m -89.66 113.51 25.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.9 t -61.01 122.54 15.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -80.52 -5.09 56.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 41.6 mt -87.57 -54.36 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.32 -43.2 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.7 30.76 3.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -104.53 163.2 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -92.7 126.24 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -134.31 97.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.506 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 33.6 t -68.74 164.78 20.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -96.04 -52.07 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.77 170.95 32.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.519 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 2.46 3.49 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.89 77.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.0 p -117.99 38.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -129.54 42.45 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.7 t -102.45 40.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.59 -51.78 3.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.429 ' CG2' ' HB2' ' A' ' 52' ' ' TRP . 80.8 m -101.0 104.47 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.119 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.7 m -48.11 126.39 10.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -37.15 -28.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' THR . 21.3 mt -62.41 -49.14 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.437 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 96.3 m95 -45.9 -53.71 9.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.38 -43.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -67.95 -46.11 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' HIS . 63.0 mt -56.77 -49.9 73.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 8.0 mttp -75.04 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -82.8 -41.0 19.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.7 ptp -126.5 -34.09 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 92.7 m-70 -93.46 21.12 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -47.19 -41.02 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -71.54 -45.58 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.32 -47.42 62.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 71.4 mt -59.91 -64.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -46.7 -55.33 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -49.17 -46.53 45.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 t -63.32 -46.73 85.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.94 48.06 0.5 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -109.8 46.51 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.823 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.09 -63.35 4.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -80.42 46.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.825 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.908 0.385 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.04 -27.83 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.521 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . . . -56.86 -33.29 66.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.431 ' CE3' HD13 ' A' ' 51' ' ' LEU . 24.2 m95 -52.75 -30.1 30.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.04 -21.53 31.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -104.4 18.96 21.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 90.2 m-85 -154.04 151.54 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.568 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -141.66 126.22 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD13 ' ND2' ' A' ' 26' ' ' ASN . 13.8 mt -71.65 144.71 49.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.5 143.52 26.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.562 0.696 . . . . 0.0 111.158 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 152.41 69.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.11 115.6 20.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 1.3 mpp_? -106.8 101.57 11.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.56 42.38 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.07 -98.34 1.92 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -130.34 -59.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.8 t-80 -174.72 140.88 0.7 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 54.1 Cg_endo -69.75 2.85 3.16 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.444 ' ND2' HD13 ' A' ' 16' ' ' LEU . 7.9 t-20 -123.9 70.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -124.39 -53.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 55.8 m-85 -124.74 150.05 46.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.55 131.39 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.07 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.568 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 23.8 m -93.07 112.87 24.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 t -60.51 127.61 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -87.21 -2.66 58.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 31.1 mt -89.25 -51.22 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -112.27 -41.7 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.62 30.73 3.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -103.98 145.67 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -80.88 125.42 30.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.24 120.34 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.545 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 65.9 p -91.5 144.98 25.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.7 mtp85 -78.07 -71.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.46 -172.56 15.38 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.4 Cg_endo -69.82 166.78 26.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . 35.34 77.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.94 177.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 65.44 43.9 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -119.97 29.08 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.55 -117.01 3.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.3 m -55.36 98.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.6 m -60.2 127.49 32.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.49 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.49 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 24.8 mt -60.42 -54.83 40.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.521 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 92.1 m95 -46.47 -54.71 8.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -40.47 -44.5 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -69.0 -45.0 71.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 59' ' ' HIS . 37.4 mt -58.12 -41.04 82.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -84.63 -8.55 58.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -82.74 -44.82 15.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.8 ptp -122.87 -38.52 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.1 m-70 -86.85 21.67 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -54.58 -32.17 58.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -72.33 -42.58 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' CD ' HD22 ' A' ' 33' ' ' LEU . 14.8 tt0 -63.84 -37.82 88.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.423 HD12 ' CB ' ' A' ' 55' ' ' LEU . 78.9 mt -67.65 -57.64 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -48.34 -52.39 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -48.08 -44.05 31.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.2 m -95.15 172.65 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.25 50.28 3.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -126.14 -43.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -43.3 -43.18 5.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -87.76 42.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.861 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -81.45 86.01 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -91.35 -45.77 8.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.78 -125.73 4.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -49.32 163.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -127.2 138.36 53.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.92 40.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -85.21 29.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.585 ' OE2' ' CE1' ' A' ' 68' ' ' HIS . 17.5 tt0 -72.85 -30.41 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.517 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . . . -54.91 -31.36 60.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CD2' HD13 ' A' ' 51' ' ' LEU . 46.2 m95 -53.8 -27.46 29.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -58.87 -15.31 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.489 ' CD1' HD11 ' A' ' 33' ' ' LEU . 42.0 m-85 -109.41 18.19 20.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 48.4 m-85 -150.65 152.12 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.568 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -135.2 130.91 36.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.418 HD13 ' CG ' ' A' ' 26' ' ' ASN . 80.8 mt -76.71 135.72 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.86 158.94 36.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 153.53 69.14 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.379 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . -61.98 -50.81 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 20' ' ' ARG . 6.3 ppt_? 32.71 38.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -171.82 175.69 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 -43.73 97.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -67.08 131.23 45.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.42 ' ND1' ' O ' ' A' ' 25' ' ' PRO . 2.3 p80 -50.42 154.78 2.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.42 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 53.6 Cg_endo -69.75 175.61 7.87 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.418 ' CG ' HD13 ' A' ' 16' ' ' LEU . 20.2 t-20 66.58 39.87 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.442 ' HG2' ' N ' ' A' ' 28' ' ' TYR . 2.7 pm0 -94.61 -36.11 11.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 25.1 m-85 -130.77 164.2 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.25 128.94 46.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.568 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 17.5 m -93.75 115.32 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.9 120.72 13.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -80.82 -0.47 38.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 23.5 mt -90.98 -52.44 4.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.3 p -112.93 -37.62 4.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.5 28.93 4.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -104.98 141.59 36.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -76.55 136.37 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.8 t -134.07 96.14 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.563 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 85.5 p -67.64 162.86 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.42 ' C ' HG22 ' A' ' 44' ' ' VAL . 20.4 mtm105 -120.45 -70.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.3 -170.23 38.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 151.58 69.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.29 70.64 0.71 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 40' ' ' ARG . 83.9 t -122.39 -41.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -71.17 73.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.96 37.75 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -70.59 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.6 m -88.19 82.41 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.6 m -37.78 125.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.96 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 23.7 mt -58.38 -55.89 29.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.517 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 93.3 m95 -38.73 -52.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -45.9 -43.62 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -71.68 -37.66 70.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 59' ' ' HIS . 68.0 mt -64.07 -42.72 96.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.428 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 14.0 mttm -83.91 -9.08 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t -81.35 -42.09 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -124.68 -38.63 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 88.1 m-70 -89.3 23.3 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -40.05 57.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.92 -38.91 83.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.19 -49.54 77.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 76.6 mt -59.17 -54.94 41.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -55.82 -47.28 77.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -58.44 -53.63 56.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.5 p -60.68 172.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.89 52.25 3.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.585 ' CE1' ' OE2' ' A' ' 9' ' ' GLU . 67.3 m-70 -128.52 88.54 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.36 -84.9 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -109.95 145.37 37.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.2 t -116.15 42.25 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.62 84.5 0.1 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -45.33 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.37 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.6 p -119.28 42.97 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.0 t -147.07 144.19 28.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.504 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -56.62 145.44 28.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -144.58 129.97 18.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.58 87.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -117.57 146.27 43.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 7' ' ' GLY . 23.1 t -71.97 135.4 46.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' NE1' ' A' ' 52' ' ' TRP . . . 37.97 57.21 1.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.496 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.2 p -114.76 33.77 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' A' ' 68' ' ' HIS . 8.2 pt-20 -90.73 -15.02 30.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.577 ' CB ' ' CE2' ' A' ' 52' ' ' TRP . . . -60.35 -14.06 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.453 ' CZ3' HD11 ' A' ' 51' ' ' LEU . 53.2 m95 -61.24 -25.28 66.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.53 -12.88 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.4 m-85 -113.57 18.19 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 66.6 m-85 -149.92 152.02 34.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.568 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -140.77 129.18 22.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.2 mt -69.66 141.8 53.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.37 141.83 24.04 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.567 0.699 . . . . 0.0 111.121 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' ARG . 54.1 Cg_endo -69.75 153.91 68.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.91 76.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -111.64 -30.64 7.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.03 -50.82 15.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.22 -97.76 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -40.69 150.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -39.51 155.27 0.16 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.721 . . . . 0.0 110.821 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -172.68 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.232 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 62.2 43.77 8.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -114.23 -40.73 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 14.4 m-85 -128.23 152.59 47.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.57 130.75 56.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.568 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 25.9 m -94.01 109.27 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.0 t -60.55 117.14 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -78.37 1.61 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' A' ' 55' ' ' LEU . 14.8 mt -92.93 -52.31 4.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.15 -32.63 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.2 24.24 7.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -88.2 142.95 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.14 118.44 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.2 t -122.87 118.43 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.559 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 53.5 p -103.94 114.03 27.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.415 ' CA ' HG23 ' A' ' 44' ' ' VAL . 9.1 ptm180 -65.39 -45.54 83.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.8 -173.58 7.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -11.76 31.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.25 23.08 8.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.415 HG23 ' CA ' ' A' ' 40' ' ' ARG . 95.1 t -134.96 126.98 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.849 0.357 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' VAL . 7.7 m120 -139.26 166.46 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' ASN . 81.5 t -36.08 124.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.83 -79.98 0.21 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.8 m -133.24 88.68 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -44.09 124.52 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.25 -32.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 24.0 mt -60.49 -47.45 86.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.577 ' CE2' ' CB ' ' A' ' 10' ' ' ALA . 95.3 m95 -48.86 -47.59 42.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -52.52 -36.54 55.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -76.13 -35.43 59.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' HIS . 84.4 mt -67.47 -50.16 60.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -76.52 -9.08 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.8 t -84.06 -38.75 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.3 ptp -128.66 -32.77 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' LEU . 96.0 m-70 -94.92 25.04 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -58.0 -30.84 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -79.01 -38.57 36.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -61.59 -56.28 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -45.11 -54.49 6.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -48.03 -48.1 33.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -48.25 -54.59 13.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -68.4 177.2 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.74 45.98 3.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.457 ' CE1' ' OE1' ' A' ' 9' ' ' GLU . 33.1 m-70 -117.9 114.05 22.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.74 -46.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -88.8 39.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 98.0 p -53.41 111.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.18 -176.36 16.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 84.58 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 t -40.35 -60.4 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -56.04 -51.24 68.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.446 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -102.07 88.53 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.381 . . . . 0.0 110.802 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -120.01 151.99 38.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.11 105.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.443 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -122.63 90.43 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -100.88 42.42 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 133.8 -102.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.9 p 38.76 30.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' GLY . 6.4 tp10 -92.24 -33.41 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.51 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . . . -51.63 -27.35 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CH2' ' HD2' ' A' ' 40' ' ' ARG . 25.7 m95 -53.23 -29.03 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -58.14 -19.17 30.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CD2' HD13 ' A' ' 33' ' ' LEU . 27.2 m-85 -106.18 18.61 21.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.563 ' CD2' HD23 ' A' ' 51' ' ' LEU . 25.5 m-85 -150.01 156.55 41.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.581 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.04 123.54 13.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.32 150.87 24.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.74 144.83 30.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.02 36.95 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.85 137.88 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -111.43 72.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 40.49 41.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.92 -110.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -58.26 169.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -74.69 156.45 86.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -6.33 18.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -107.01 48.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.452 ' O ' ' NH2' ' A' ' 40' ' ' ARG . 5.0 tp60 -93.08 -60.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 19.7 m-85 -123.13 165.18 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -118.11 123.49 45.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.581 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 39.7 m -87.13 111.46 20.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.4 t -62.43 117.76 6.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -76.62 -3.85 39.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 13' ' ' TYR . 23.4 mt -88.73 -54.91 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.46 -39.8 5.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.32 28.72 4.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -106.04 144.07 33.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -82.95 130.54 35.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.0 t -136.09 111.7 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.563 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 66.4 p -86.23 134.95 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.587 ' H ' ' NE ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -117.94 -31.6 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.438 ' O ' ' NH1' ' A' ' 40' ' ' ARG . . . 141.77 161.13 8.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.78 15.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.51 87.8 0.39 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -120.76 117.68 53.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -123.8 -66.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.79 174.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.63 173.53 41.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.8 m -71.85 79.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.9 m -40.53 123.39 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' ' 40' ' ' ARG . . . -35.45 -39.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 14' ' ' PHE . 29.9 mt -50.63 -48.12 58.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.51 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 82.9 m95 -52.87 -50.01 64.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -49.63 -40.43 39.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -72.02 -43.0 65.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 59' ' ' HIS . 33.9 mt -61.01 -49.35 77.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 2.4 mtpm? -75.23 -9.5 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 t -84.61 -42.07 15.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.7 ptp -123.33 -33.11 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 95.4 m-70 -95.56 26.3 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.791 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -54.44 -35.36 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.81 -41.75 64.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.31 -43.66 98.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 77.2 mt -63.05 -58.93 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -51.97 -45.63 64.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -49.53 -50.55 41.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 m -68.51 -57.54 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.96 43.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -126.39 92.7 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -126.38 -57.29 0.15 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -84.81 35.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -72.31 125.72 28.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.57 141.23 10.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -44.73 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -129.44 94.55 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.1 p -102.56 42.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.489 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -107.25 87.17 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 p -167.64 146.44 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.49 101.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 t -83.06 -59.81 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 7' ' ' GLY . 44.6 t 54.34 49.22 18.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.97 71.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.9 p -85.35 -17.04 37.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -46.72 -35.89 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.466 ' HB2' ' NE1' ' A' ' 52' ' ' TRP . . . -51.02 -37.49 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -52.93 -30.61 35.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -57.29 -20.28 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.626 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 25.1 m-85 -105.12 17.95 23.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 17.0 m-85 -151.79 159.45 43.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.566 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.66 127.21 16.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.7 mt -59.34 138.14 57.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.9 138.74 24.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 134.62 28.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . -87.15 -67.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.0 ptm180 33.87 38.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -126.23 -62.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.98 -39.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.22 157.42 22.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -55.51 152.78 16.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.88 17.85 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.734 2.289 . . . . 0.0 112.329 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 62.7 40.11 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -70.56 -72.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 39' ' ' SER . 3.0 m-85 -115.92 165.87 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.62 148.11 34.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.566 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 7.8 m -110.88 111.54 22.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -59.09 116.29 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -76.99 -2.83 35.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 19.3 mt -90.3 -54.34 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.2 p -108.17 -40.14 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.66 25.36 5.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -97.23 154.37 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 8.1 mp0 -84.78 128.16 34.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 67.5 t -134.44 110.12 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 8.8 t -81.84 154.32 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -52.49 -43.19 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 48.39 -175.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 157.14 61.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.55 61.51 7.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.77 -37.12 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' VAL . 6.6 p30 -84.97 -37.41 20.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' ASN . 7.4 p -35.05 -45.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.94 -56.25 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.1 m -81.24 91.09 6.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 111.155 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' TRP . 4.3 m -47.76 127.33 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.31 -37.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.502 HD21 ' CD2' ' A' ' 14' ' ' PHE . 20.5 mt -56.65 -47.6 79.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 10' ' ' ALA . 86.8 m95 -48.4 -45.55 36.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -54.26 -35.3 62.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -78.95 -43.21 25.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' O ' ' C ' ' A' ' 59' ' ' HIS . 36.1 mt -60.79 -47.57 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -76.82 -9.46 58.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -83.78 -40.94 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.8 ptp -125.72 -34.12 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.8 m-70 -93.65 25.44 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -55.31 -35.24 64.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.64 -39.91 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.72 -50.83 71.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.7 mt -54.53 -60.46 3.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -52.56 -42.64 64.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -55.18 -42.68 73.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -85.2 36.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.12 74.02 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -128.06 -46.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.11 -100.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.54 134.55 36.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.7 p -86.33 -38.17 17.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -141.7 150.65 22.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -5.3 15.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.4 m -75.99 127.12 32.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 m -63.27 -47.53 82.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.506 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.81 43.32 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -75.86 -52.61 9.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.64 82.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -128.78 101.08 5.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -104.51 80.4 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 38.53 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.4 p -101.16 -11.14 19.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.805 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -47.95 -34.85 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HB3' ' NE1' ' A' ' 52' ' ' TRP . . . -50.57 -35.27 29.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -52.94 -31.76 42.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -56.85 -16.99 7.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CD2' HD12 ' A' ' 33' ' ' LEU . 28.9 m-85 -108.69 19.22 19.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 79.3 m-85 -151.7 152.24 32.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -137.62 129.24 28.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.463 HD11 ' ND2' ' A' ' 26' ' ' ASN . 97.8 mt -64.83 141.17 58.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.89 144.9 28.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.728 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 155.7 65.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.41 97.36 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -110.33 -52.06 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.06 -55.54 11.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.95 -30.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' HIS . 36.8 m80 -78.18 153.13 32.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.815 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -37.63 155.59 0.1 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.644 0.735 . . . . 0.0 110.838 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 169.56 18.7 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.463 ' ND2' HD11 ' A' ' 16' ' ' LEU . 18.7 t-20 74.57 33.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -64.82 -72.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 3.1 m-85 -120.25 161.64 20.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.77 128.62 48.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.582 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 9.2 m -94.99 110.82 22.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.5 t -57.91 130.61 47.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -89.01 1.12 56.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 54.1 mt -94.29 -47.2 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.5 p -121.85 -37.25 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.03 27.77 5.24 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -88.3 138.55 31.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -78.61 116.64 19.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.02 125.1 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.555 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 47.5 p -94.94 165.08 12.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -122.54 -47.76 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.98 -166.42 53.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 178.98 4.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.282 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.21 69.38 0.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' A' ' 45' ' ' ASN . 14.6 p -131.56 164.78 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 11.7 t-20 72.55 39.82 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.2 t -104.88 -41.06 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.25 -76.03 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' THR . 57.6 m -115.46 85.83 2.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.873 0.368 . . . . 0.0 111.157 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.8 m -37.75 128.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.48 -33.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.535 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 24.0 mt -57.38 -50.36 73.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.467 ' NE1' ' HB3' ' A' ' 10' ' ' ALA . 90.0 m95 -48.36 -52.29 22.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -43.45 -42.33 4.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.83 -47.88 57.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 59' ' ' HIS . 25.9 mt -56.5 -45.01 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -78.98 -9.15 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.3 t -84.15 -37.88 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.1 ptp -128.82 -34.98 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.0 m-70 -93.12 24.99 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -54.85 -35.0 63.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 43.7 mt-10 -74.19 -39.47 63.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.65 -44.83 96.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.5 mt -63.05 -58.1 8.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -52.85 -43.05 65.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 10.4 mmmt -52.63 -53.25 49.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.9 m -74.98 159.15 32.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' SER . . . -34.5 -42.81 0.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -55.42 100.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' GLN . . . -120.0 130.95 8.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' GLY . 28.2 pt20 34.91 42.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.4 m -47.16 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.82 -148.04 16.9 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.21 27.46 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.4 p -86.4 142.96 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 t -81.79 120.0 24.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.212 -0.771 . . . . 0.0 112.521 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.9 p -134.67 155.9 49.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -44.18 168.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 127.76 -39.67 1.88 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 4' ' ' GLY . 31.1 t -35.86 136.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.824 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 p -93.37 164.54 13.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.84 -85.92 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p 38.12 37.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -98.99 -31.43 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.512 ' HB1' ' CE2' ' A' ' 52' ' ' TRP . . . -52.65 -25.3 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -52.87 -32.0 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -56.98 -19.07 16.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD2' HD13 ' A' ' 33' ' ' LEU . 52.9 m-85 -104.5 17.33 24.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.477 ' CG ' HD21 ' A' ' 51' ' ' LEU . 96.8 m-85 -150.22 156.74 42.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.572 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -142.26 130.74 22.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -68.23 144.68 54.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.0 152.68 43.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.556 0.693 . . . . 0.0 111.135 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 135.16 29.6 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.92 144.67 34.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -96.73 -53.17 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.84 172.93 12.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 23' ' ' HIS . . . -41.08 -37.95 1.62 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.545 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' GLY . 18.0 m170 -37.18 109.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.446 ' N ' ' CD2' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -49.96 154.93 1.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 110.884 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.13 2.92 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.372 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.54 40.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -84.62 -70.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 46.6 m-85 -126.54 146.92 49.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.403 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . . . -104.46 125.93 51.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.572 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 29.6 m -90.58 111.04 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 10.2 t -60.64 127.31 31.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -86.59 0.73 53.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 61.5 mt -93.27 -49.28 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.23 -38.46 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.69 31.64 3.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -103.19 139.66 38.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 14.9 mp0 -77.85 127.98 33.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.2 t -135.41 118.43 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.546 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 34.4 p -84.97 165.57 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . 12.3 mmp_? -84.87 -47.05 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.29 176.59 41.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.525 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 104.62 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.264 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.83 73.24 1.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' CG2' HG21 ' A' ' 49' ' ' THR . 2.8 p -116.61 -7.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -101.31 -32.18 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -37.1 -32.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' THR . . . -178.85 -136.26 2.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' GLY . 22.6 m -33.9 105.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 111.154 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.8 m -58.93 126.31 27.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.86 -33.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.477 HD21 ' CG ' ' A' ' 14' ' ' PHE . 15.0 mt -56.62 -49.26 75.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.512 ' CE2' ' HB1' ' A' ' 10' ' ' ALA . 96.6 m95 -53.9 -53.46 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -40.05 -42.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -72.35 -45.03 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' HIS . 57.4 mt -57.93 -45.18 86.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -79.03 -9.51 59.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 t -83.01 -38.68 22.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.4 ptp -129.13 -36.31 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.0 m-70 -90.31 18.58 5.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.75 -36.59 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -76.69 -40.29 49.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.44 -46.58 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 75.9 mt -58.79 -53.06 62.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -44.23 -47.33 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -56.74 -45.4 82.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.2 m -64.64 -56.85 11.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.17 43.45 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -121.77 82.6 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.95 -53.33 34.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -130.5 -51.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t 69.68 42.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.14 -116.71 0.94 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.19 18.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -103.85 -59.22 1.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.4 m -79.9 84.12 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.493 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -171.64 126.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 p -63.35 91.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.47 126.06 29.86 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -77.05 164.98 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -99.76 146.83 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.08 54.67 2.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 p -86.37 35.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.4 -37.49 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . . . -51.95 -30.63 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -53.49 -29.27 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -58.02 -18.99 27.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CD2' HD11 ' A' ' 33' ' ' LEU . 49.9 m-85 -105.61 18.29 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 35.9 m-85 -151.09 159.33 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.575 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.87 127.94 17.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.93 145.01 56.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.94 158.89 39.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 111.062 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 144.68 54.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.29 167.09 13.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 10.6 ptm180 -103.03 150.73 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -33.93 106.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.63 -73.2 0.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -83.44 141.9 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.472 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 4.0 p80 -77.67 158.41 78.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.79 2.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -96.31 44.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -98.6 -34.69 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 68.0 m-85 -155.65 161.75 40.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.61 135.28 53.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.575 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 10.6 m -102.05 111.47 23.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.05 126.02 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -84.15 1.28 45.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 94.7 mt -94.07 -50.99 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.59 -36.35 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.66 25.05 6.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.425 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -90.39 136.37 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -79.23 123.97 27.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.1 t -126.31 110.63 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.569 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 92.3 p -87.11 138.99 31.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 41' ' ' GLY . 10.8 ptm180 -110.23 -41.42 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 40' ' ' ARG . . . 112.42 164.02 16.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -50.33 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.75 84.47 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 40' ' ' ARG . 92.0 t -126.79 101.48 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -119.22 81.86 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -130.98 172.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.88 -37.54 15.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.2 m -102.95 97.36 7.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.4 m -51.12 128.5 21.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.52 -34.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.457 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 17.7 mt -58.55 -53.13 61.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 87.6 m95 -40.04 -52.32 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.91 -42.88 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -69.71 -41.24 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 59' ' ' HIS . 44.4 mt -62.33 -47.3 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -76.83 -9.47 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.0 t -82.98 -42.41 17.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.8 ptp -124.31 -34.15 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.9 m-70 -93.97 24.94 3.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -53.08 -33.08 50.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -76.12 -45.8 32.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.21 -51.71 65.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.4 mt -52.0 -63.2 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -45.98 -45.33 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -52.17 -46.14 65.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.9 m -88.75 16.78 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.07 68.37 1.72 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -124.24 82.18 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -131.66 -39.38 0.24 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -41.16 -28.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.1 p -80.03 60.33 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -165.25 61.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 103.53 1.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.36 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.9 m -162.01 159.95 27.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.2 t -56.83 108.26 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -63.55 86.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -94.99 152.36 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.95 -40.96 0.61 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -74.28 81.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -125.78 162.91 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.8 62.4 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -98.05 39.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -85.78 -32.83 21.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.507 ' HB2' ' CD2' ' A' ' 52' ' ' TRP . . . -51.8 -25.44 7.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.456 ' CH2' HD21 ' A' ' 16' ' ' LEU . 33.2 m95 -52.55 -28.33 20.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -56.67 -22.74 36.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CD1' HD13 ' A' ' 33' ' ' LEU . 37.9 m-85 -101.66 16.8 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 93.3 m-85 -146.58 157.33 43.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.585 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.12 125.14 14.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.456 HD21 ' CH2' ' A' ' 11' ' ' TRP . 69.9 mt -63.22 152.64 36.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.77 148.27 36.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.533 0.683 . . . . 0.0 111.131 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 157.86 59.02 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.16 120.52 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -92.31 -47.82 6.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.73 150.38 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.86 -56.4 0.49 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.52 157.52 37.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.55 153.24 62.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 3.2 2.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -101.25 31.67 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -67.98 -70.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.553 ' CD1' ' HB2' ' A' ' 39' ' ' SER . 3.5 m-85 -125.64 166.4 16.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.45 128.47 56.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.585 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 20.8 m -92.44 114.63 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 6.6 t -64.07 116.25 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.98 -4.71 45.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 17.0 mt -86.95 -54.55 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.34 -41.2 5.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.01 29.32 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -99.77 158.61 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -90.63 123.89 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -135.51 121.35 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.553 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 7.5 t -106.01 130.44 53.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' C ' HG22 ' A' ' 44' ' ' VAL . 8.8 mtp-105 -59.92 -64.86 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.51 163.61 11.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -1.56 8.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -178.5 69.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.406 HG22 ' C ' ' A' ' 40' ' ' ARG . 96.5 t -92.44 119.8 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -53.87 159.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.2 t -79.15 85.92 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.79 -113.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.7 m -70.84 76.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 111.135 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.7 m -45.99 125.7 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.1 -37.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 24.0 mt -52.25 -55.01 24.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.507 ' CD2' ' HB2' ' A' ' 10' ' ' ALA . 88.3 m95 -48.63 -52.8 21.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -46.69 -43.37 17.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -69.96 -36.98 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 59' ' ' HIS . 65.5 mt -65.66 -46.36 79.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -77.16 -9.56 58.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -84.28 -43.43 14.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.4 ptp -122.09 -36.39 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.3 m-70 -90.97 23.48 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -52.67 -38.05 59.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -70.53 -40.88 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.7 -45.56 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.19 -54.52 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.15 -44.03 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.91 -44.21 85.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.2 m -64.0 174.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' HIS . . . -68.02 -42.1 85.76 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' GLY . 33.1 m-70 -35.58 149.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.85 -38.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.82 76.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 72' ' ' GLY . 17.5 t -124.46 78.93 1.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 71' ' ' SER . . . 34.37 62.72 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 166.67 26.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.7 p -156.47 148.48 23.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.3 t -104.28 84.29 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.54 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -105.35 146.92 28.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -67.94 81.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.82 159.12 32.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -109.69 84.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' GLY . 16.6 t -162.36 112.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.67 -100.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.5 p 42.83 27.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -91.07 -35.08 14.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.52 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -49.32 -29.82 6.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -52.76 -30.31 32.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -56.82 -21.6 30.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.8 m-85 -103.77 18.18 22.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 50.8 m-85 -150.94 156.87 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.579 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -137.42 129.81 29.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.8 mt -71.27 146.81 48.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.94 155.39 43.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.561 0.696 . . . . 0.0 111.111 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 141.41 45.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.87 113.66 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -109.66 -48.3 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.71 37.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' HIS . . . 75.07 -62.69 2.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' GLY . 5.9 m170 -35.74 137.09 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.462 ' N ' ' CD2' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -40.97 154.14 0.22 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -2.56 10.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -88.81 42.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -80.31 -74.91 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 39' ' ' SER . 3.4 m-85 -118.45 173.91 6.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.23 124.24 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.579 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 29.8 m -88.93 118.03 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.44 119.66 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -80.71 0.19 35.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.57 HD13 ' CD2' ' A' ' 59' ' ' HIS . 20.7 mt -92.02 -51.26 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.7 p -114.09 -37.65 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.37 26.6 5.35 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.431 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -98.45 142.99 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.462 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 16.1 mp0 -81.57 127.74 33.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.8 t -134.14 111.82 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 57.0 p -95.64 147.3 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.8 mtm-85 -93.23 -54.65 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.45 179.74 20.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.5 68.47 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.3 p -46.99 135.31 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -70.32 148.55 48.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.6 t -79.41 89.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.71 -114.13 0.45 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.0 m -79.93 83.19 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.866 0.365 . . . . 0.0 111.149 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.42 127.1 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.27 -37.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.488 HD22 ' CD2' ' A' ' 14' ' ' PHE . 23.0 mt -54.62 -49.73 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 82.3 m95 -48.2 -48.07 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -50.89 -38.63 50.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -74.45 -42.37 59.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 59' ' ' HIS . 37.8 mt -61.25 -50.05 74.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -74.24 -9.37 58.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 t -83.44 -41.32 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.468 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.6 ptp -126.08 -33.96 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.57 ' CD2' HD13 ' A' ' 33' ' ' LEU . 91.4 m-70 -95.07 26.34 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.4 ttm105 -54.94 -32.83 61.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -76.13 -44.58 37.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.08 -47.86 74.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.5 mt -54.93 -57.79 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -46.67 -48.87 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -52.15 -36.01 50.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -85.41 32.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.93 50.13 27.62 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -114.53 106.01 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.796 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.27 136.46 7.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 62.37 35.89 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.6 m -83.24 36.98 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.55 132.23 1.42 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.62 16.64 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.6 p -88.16 45.95 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.3 t -106.18 41.03 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.478 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 m -104.87 109.01 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.868 0.365 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -96.22 -47.11 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.54 -165.78 51.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -69.21 148.95 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.842 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -143.3 167.02 23.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.74 84.49 0.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.9 p -94.07 22.36 5.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -69.92 -36.23 75.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . . . -49.36 -36.33 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -54.01 -29.22 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.86 -8.68 5.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CD2' HD11 ' A' ' 33' ' ' LEU . 31.6 m-85 -117.42 18.85 14.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 35.9 m-85 -152.29 155.89 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.574 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -142.29 127.1 18.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.62 141.51 58.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.65 142.87 26.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 146.73 61.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.36 157.92 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 10.3 ptp85 -112.12 -44.89 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' ARG . . . -80.86 176.32 9.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.6 -36.92 2.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -44.42 121.07 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -48.28 157.5 0.67 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.0 3.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.313 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -109.45 79.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -104.8 -71.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 2.8 m-85 -121.72 168.39 11.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.69 122.43 46.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.574 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 43.1 m -88.01 111.53 21.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.38 120.51 10.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -82.72 -0.2 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 16.5 mt -93.51 -49.4 5.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -112.53 -37.87 4.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.6 26.14 6.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -101.1 145.5 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -86.99 127.85 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.5 t -133.23 122.95 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.527 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 34.8 p -79.32 153.79 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -74.31 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.98 170.09 43.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 97.85 0.66 Allowed 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.36 47.66 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.445 ' CG1' ' OD1' ' A' ' 45' ' ' ASN . 8.2 p -103.55 164.52 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 111.102 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.445 ' OD1' ' CG1' ' A' ' 44' ' ' VAL . 2.4 p-10 45.97 43.03 10.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.6 t -125.19 -40.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.56 -56.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' THR . 26.1 m -131.33 85.96 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 111.195 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -37.88 125.32 1.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.445 ' HA ' ' CE ' ' A' ' 53' ' ' LYS . . . -39.63 -32.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.557 HD21 ' CD2' ' A' ' 14' ' ' PHE . 16.4 mt -63.07 -43.55 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.491 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 70.9 m95 -50.93 -41.18 58.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.445 ' CE ' ' HA ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -60.52 -28.88 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -86.43 -34.03 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 59' ' ' HIS . 50.3 mt -69.16 -47.53 64.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -77.55 -9.89 59.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -86.13 -39.69 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 2.8 ptp -122.86 -36.13 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.6 m-70 -94.64 26.1 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -52.81 -38.1 60.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -70.0 -43.13 72.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.6 -30.93 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 55' ' ' LEU . 81.3 mt -77.35 -60.79 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -53.42 -52.01 60.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -45.22 -31.62 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.3 t -89.44 -53.88 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.58 32.47 0.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -116.48 36.76 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.92 -59.44 4.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -99.14 74.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t -87.1 -49.31 7.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.81 168.73 32.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 146.99 62.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.7 m -110.52 114.51 27.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.9 m -96.51 90.02 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.49 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -122.22 -53.37 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -74.05 157.69 35.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.2 138.72 6.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -96.53 75.93 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.823 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 m 60.0 43.82 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.03 -105.45 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m 39.71 35.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -91.92 -25.21 19.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' HB3' ' CD2' ' A' ' 52' ' ' TRP . . . -58.04 -20.97 43.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -51.05 -28.26 9.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.667 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 15.4 pt-20 -54.89 -27.07 39.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.667 ' CE1' ' CG ' ' A' ' 12' ' ' GLU . 26.6 m-85 -99.7 19.08 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 85.6 m-85 -148.1 157.69 43.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.578 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -141.52 129.23 21.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD12 ' ND2' ' A' ' 26' ' ' ASN . 35.5 mt -64.83 146.37 54.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.86 136.62 26.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.1 66.75 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.649 2.232 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.62 96.17 10.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.056 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -69.56 70.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 38.19 43.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.82 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -58.75 112.25 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 56.8 t-80 -42.51 140.71 1.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 53.3 Cg_endo -69.8 178.42 4.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.461 ' ND2' HD12 ' A' ' 16' ' ' LEU . 5.1 m120 49.48 37.65 12.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -91.25 -70.98 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 3.1 m-85 -115.97 162.47 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.4 140.18 48.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.578 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 21.2 m -103.44 117.1 33.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.9 t -63.74 121.87 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.459 ' NE ' ' HB3' ' A' ' 15' ' ' HIS . 81.5 mtt-85 -81.72 -3.91 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 59' ' ' HIS . 54.4 mt -89.77 -53.93 4.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -106.33 -42.46 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.29 25.97 5.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -94.44 173.75 7.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -108.93 126.59 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.0 t -135.23 111.75 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.555 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 54.2 p -89.59 153.46 20.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 41' ' ' GLY . 9.6 ptm180 -110.79 -46.66 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 40' ' ' ARG . . . 115.64 168.29 15.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -0.35 6.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 44' ' ' VAL . . . -141.9 -69.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 43' ' ' GLY . 7.2 p 44.55 31.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -82.65 79.54 9.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.69 -45.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.7 -67.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' THR . 42.2 m -82.4 86.55 6.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 3.0 m -36.5 129.55 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.47 -36.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 20.7 mt -56.89 -54.58 44.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.486 ' CD2' ' HB3' ' A' ' 10' ' ' ALA . 86.4 m95 -46.72 -53.99 10.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -45.79 -44.07 13.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -68.08 -43.81 77.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' HIS . 49.8 mt -60.59 -47.57 85.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -75.9 -9.72 58.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.6 t -84.28 -39.68 18.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.3 ptp -126.97 -34.75 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.515 ' CG ' HD11 ' A' ' 33' ' ' LEU . 96.3 m-70 -92.87 20.19 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -47.88 -36.87 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.69 -47.04 56.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -56.05 -32.26 63.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.3 mt -76.42 -55.17 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.69 -51.96 65.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 66' ' ' SER . 41.1 pttt -47.64 -32.22 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.1 t -90.07 -69.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.96 35.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -121.19 39.63 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.69 -57.19 2.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.539 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -88.19 81.53 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.1 p -104.13 -44.54 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.41 126.5 19.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -47.5 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.7 t -78.68 151.01 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 m -123.3 86.93 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.082 -0.844 . . . . 0.0 112.509 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p 42.56 42.13 2.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -74.9 110.98 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.4 -120.8 0.42 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -105.29 42.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 p -109.08 91.2 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.15 -27.89 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.5 p -83.73 35.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -82.55 -38.71 23.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.33 -33.36 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -52.81 -32.5 44.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.03 -14.61 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -110.15 19.09 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 51' ' ' LEU . 98.1 m-85 -149.36 154.15 38.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.579 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -138.51 129.99 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.45 148.78 47.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.96 143.94 28.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.56 67.68 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.96 140.0 52.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -129.08 -55.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.65 -44.66 47.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.88 89.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' HIS . 13.3 p80 -174.59 124.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.563 ' CD2' ' HD2' ' A' ' 25' ' ' PRO . 1.8 t-80 -38.15 139.61 0.63 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.525 0.678 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.563 ' HD2' ' CD2' ' A' ' 24' ' ' HIS . 54.2 Cg_endo -69.74 2.98 3.03 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.414 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -100.66 38.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -81.97 -60.75 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 9.8 m-85 -139.38 153.96 47.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.62 130.34 56.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.579 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 27.8 m -94.53 116.78 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 8.6 t -63.73 126.07 26.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -86.85 -0.9 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 59' ' ' HIS . 31.1 mt -91.86 -48.1 6.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.6 p -118.84 -39.55 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 37' ' ' GLN . . . 111.6 23.17 5.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -89.52 142.57 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.763 0.316 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 6.0 mp0 -85.1 122.82 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.32 116.12 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.563 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 90.1 p -100.94 161.81 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -97.81 -48.86 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.3 -177.21 23.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.76 145.19 56.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . 34.04 87.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 45' ' ' ASN . 95.6 t -120.37 143.57 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.104 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.431 ' N ' HG11 ' A' ' 44' ' ' VAL . 4.1 t-20 -175.06 116.24 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.464 HG21 ' N ' ' A' ' 47' ' ' GLY . 5.7 p -168.15 137.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.464 ' N ' HG21 ' A' ' 46' ' ' VAL . . . -45.77 -33.27 4.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.441 ' CG2' ' HE3' ' A' ' 53' ' ' LYS . 91.8 m -96.31 90.36 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 111.14 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 51' ' ' LEU . 15.1 m -44.85 124.72 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.94 -33.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 23.9 mt -57.74 -56.89 16.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -38.6 -54.76 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.441 ' HE3' ' CG2' ' A' ' 48' ' ' THR . 1.4 mptm? -39.85 -46.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -69.65 -45.72 67.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 59' ' ' HIS . 71.6 mt -56.48 -47.37 79.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 18.4 mttm -78.12 -9.34 59.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.9 t -81.98 -41.61 20.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.2 ptp -127.1 -33.99 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.564 ' CD2' HD13 ' A' ' 33' ' ' LEU . 85.8 m-70 -92.94 24.39 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' CZ ' ' OE2' ' A' ' 64' ' ' GLU . 72.3 ttt-85 -53.05 -39.09 62.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -69.91 -38.82 76.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.68 -40.82 93.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 74.1 mt -69.47 -54.41 14.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' OE2' ' CZ ' ' A' ' 60' ' ' ARG . 24.3 mt-10 -53.41 -41.01 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 1.4 tmmm? -74.23 -55.03 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.6 p -44.41 -42.37 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.69 54.29 2.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -91.63 45.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.87 -179.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -78.75 64.38 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.936 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -81.85 44.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 164.01 140.8 2.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.1 22.68 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -42.23 142.37 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -162.1 173.51 14.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.467 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 m -98.94 92.13 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 m -159.82 115.2 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.71 -117.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -123.15 175.42 6.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.1 t -150.0 127.28 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.85 45.9 40.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -85.57 37.37 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' HG2' ' CE1' ' A' ' 68' ' ' HIS . 5.5 tp10 -80.01 -33.86 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.431 ' HB1' ' CE2' ' A' ' 52' ' ' TRP . . . -50.61 -30.03 12.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.47 ' CD2' HD13 ' A' ' 51' ' ' LEU . 41.3 m95 -53.35 -29.97 36.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.82 -11.63 3.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CD2' HD11 ' A' ' 33' ' ' LEU . 44.9 m-85 -112.93 18.45 18.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 88.9 m-85 -150.59 156.19 40.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.57 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.03 127.8 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.39 134.12 45.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.95 152.02 42.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 150.32 68.23 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.56 92.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -106.71 118.88 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 44.4 43.0 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.91 -166.85 20.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -70.4 173.05 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.409 ' ND1' ' C ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -41.41 157.6 0.2 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.54 0.686 . . . . 0.0 110.916 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -171.68 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.649 2.232 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 59.46 40.57 20.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -109.22 -40.31 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 37.3 m-85 -124.28 143.18 50.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.55 122.92 47.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.57 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 21.7 m -90.27 110.99 22.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 7.4 t -61.71 122.71 16.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -83.05 1.06 42.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 29.8 mt -93.4 -50.48 5.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -112.8 -37.48 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.15 29.29 4.91 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -104.71 146.15 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -86.51 131.21 34.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.65 98.92 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 69.5 p -58.81 114.85 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.7 ttp-105 -54.39 -60.62 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.33 -162.75 13.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' VAL . 53.7 Cg_endo -69.78 -163.72 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . -34.2 93.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 42' ' ' PRO . 10.0 p -102.51 37.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 111.113 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -89.5 73.24 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -134.77 147.97 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.3 -33.71 2.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.8 m -103.74 84.74 2.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 111.171 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.9 m -50.68 129.93 23.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.16 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 11' ' ' TRP . 16.0 mt -62.72 -54.94 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.431 ' CE2' ' HB1' ' A' ' 10' ' ' ALA . 96.9 m95 -40.82 -54.64 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -39.41 -43.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -73.14 -44.39 60.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 59' ' ' HIS . 66.3 mt -59.08 -34.16 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -92.31 -8.84 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -83.11 -37.5 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.493 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -128.7 -39.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.522 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.0 m-70 -88.83 22.42 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -49.14 -39.49 28.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -71.66 -41.17 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -56.79 -51.12 70.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 55' ' ' LEU . 89.7 mt -59.66 -62.27 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -39.21 -47.74 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -50.17 -53.13 29.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -75.75 -175.54 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.29 46.18 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.442 ' CE1' ' HG2' ' A' ' 9' ' ' GLU . 69.7 m-70 -126.63 39.21 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.7 7.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -131.61 131.85 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -125.21 41.24 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 158.3 109.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 101.09 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -169.66 112.44 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -52.83 111.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.478 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -91.53 42.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -49.98 -44.68 50.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.82 -151.69 7.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.523 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -112.58 41.5 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t 63.68 41.12 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.37 38.47 1.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.0 p -87.76 37.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.8 -48.51 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' CB ' HD13 ' A' ' 55' ' ' LEU . . . -48.14 -27.22 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -53.05 -32.34 46.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.99 -16.84 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.467 ' CD2' HD11 ' A' ' 33' ' ' LEU . 32.0 m-85 -108.19 18.58 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 51' ' ' LEU . 98.1 m-85 -152.28 155.54 37.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.572 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -144.15 128.59 17.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -69.01 141.3 54.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.3 151.9 37.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.101 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 141.63 45.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.46 96.47 5.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.063 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -107.39 -44.06 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.63 -53.16 25.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.92 -72.3 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.51 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -46.95 146.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.33 158.31 0.77 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -168.06 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 59.04 41.35 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -106.14 -44.37 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 34.3 m-85 -129.05 150.03 50.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.46 126.34 55.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.572 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 30.6 m -87.58 112.38 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 9.8 t -64.09 128.49 36.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -84.75 -7.08 59.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.1 mt -84.43 -55.88 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -105.55 -43.54 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.74 31.76 2.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -110.45 143.89 40.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -82.43 127.77 33.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -126.02 103.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.562 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 20.6 p -73.71 142.67 46.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -51.38 -60.6 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.48 -178.82 16.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -46.15 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.14 52.57 0.6 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 45' ' ' ASN . 14.4 p -54.64 143.59 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.172 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.46 ' N ' HG22 ' A' ' 44' ' ' VAL . 2.5 m120 -75.7 122.89 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.67 -51.14 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.11 -72.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -86.86 86.54 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.15 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.4 m -45.19 126.28 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.41 -36.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.053 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 25.6 mt -55.69 -53.58 54.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -46.26 -53.48 10.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -40.07 -43.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -74.38 -41.06 61.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' ' 59' ' ' HIS . 56.8 mt -60.96 -33.6 73.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -92.3 -8.55 44.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -82.82 -41.58 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.495 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -125.24 -37.45 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 89.7 m-70 -90.42 24.23 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -54.66 -34.33 62.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -76.34 -40.86 50.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.13 -42.15 94.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.94 -58.91 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.46 -43.11 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -53.82 -49.08 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.22 35.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' HIS . . . 58.12 -92.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' GLY . 28.2 m-70 34.55 39.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.91 -51.81 42.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -98.15 78.1 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.946 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.0 p -97.26 41.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.96 172.71 22.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.28 19.0 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 t -133.74 120.72 20.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 t -81.88 44.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.48 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -117.31 -59.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -77.51 172.99 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.4 58.86 3.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -119.61 94.07 4.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -78.23 53.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.05 49.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 p -80.86 42.44 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -92.62 -34.49 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' HB1' ' CE2' ' A' ' 52' ' ' TRP . . . -54.05 -26.98 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -53.85 -26.37 24.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -59.82 -20.1 54.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CD2' HD11 ' A' ' 33' ' ' LEU . 36.9 m-85 -107.25 19.22 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 95.4 m-85 -150.98 157.43 42.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.572 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.91 128.76 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.5 mt -69.08 137.41 53.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.93 143.97 28.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.07 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 160.77 48.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.25 111.85 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.2 -18.02 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.84 -48.89 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.62 -53.14 0.44 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' HIS . 2.0 t-80 -48.94 137.93 12.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -36.47 155.16 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.707 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 174.21 9.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 63.7 44.12 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -94.77 -40.19 9.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 24.3 m-85 -138.7 148.89 44.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.61 132.73 50.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.572 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 11.4 m -96.59 110.6 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.543 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 9.0 t -58.22 121.43 10.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -82.27 3.79 26.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 30.3 mt -96.86 -47.09 5.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -123.45 -33.95 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.91 18.48 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -78.85 140.03 38.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -85.69 112.15 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.5 t -114.42 119.52 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 60.5 p -100.06 119.04 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 -48.43 -71.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.54 -175.08 22.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.18 77.96 1.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.1 m -125.14 -6.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -94.14 48.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.8 m -110.06 -10.58 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.54 -48.72 0.95 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 m -90.87 99.55 12.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' ALA . 3.4 m -58.09 125.61 23.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.94 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.547 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 33.7 mt -55.73 -49.03 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.521 ' CE2' ' HB1' ' A' ' 10' ' ' ALA . 95.8 m95 -53.93 -50.22 66.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -46.47 -42.18 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -73.01 -41.71 63.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 59' ' ' HIS . 59.1 mt -59.57 -48.69 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 30.0 mttt -76.96 -9.67 58.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -82.7 -38.97 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.2 ptp -127.67 -33.09 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.2 m-70 -96.21 26.61 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -53.43 -32.68 50.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.38 -46.91 37.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -54.19 -56.12 21.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 91.8 mt -49.65 -58.95 4.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.56 -39.8 71.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.67 -47.28 82.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 m -70.71 -175.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.99 44.87 3.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -107.4 81.57 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.93 115.94 5.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 51.26 42.96 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.3 t -51.36 106.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.24 71.35 1.32 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -42.19 3.67 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.396 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.6 p -83.66 45.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 m -131.96 -47.99 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.53 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -65.42 176.28 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -98.0 140.73 31.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.07 -71.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.5 p -40.78 129.56 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.819 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -107.23 41.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.39 54.55 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 p -94.33 39.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.825 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -89.79 -41.88 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.83 -26.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -52.41 -32.77 40.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -56.37 -20.03 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CD2' HD13 ' A' ' 33' ' ' LEU . 28.0 m-85 -104.7 18.49 22.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 87.4 m-85 -150.78 146.64 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.586 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -133.61 122.44 23.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.42 HD11 ' CG ' ' A' ' 26' ' ' ASN . 20.8 mt -67.01 142.96 57.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.37 155.59 36.21 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 111.12 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 135.89 31.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.55 120.8 36.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -127.01 -32.54 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.21 -45.99 17.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.6 21.07 0.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -114.69 167.3 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.546 ' CE1' ' O ' ' A' ' 25' ' ' PRO . 11.1 t-80 -43.4 134.55 3.42 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.616 0.722 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.546 ' O ' ' CE1' ' A' ' 24' ' ' HIS . 53.8 Cg_endo -69.75 149.18 66.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.42 ' CG ' HD11 ' A' ' 16' ' ' LEU . 71.4 m-20 58.49 47.66 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.568 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 5.4 pt20 -84.69 -45.8 12.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 51.4 m-85 -106.66 156.09 18.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.11 136.93 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.586 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 12.2 m -101.74 109.84 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.5 t -58.16 120.53 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -79.37 -2.97 44.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 13' ' ' TYR . 34.4 mt -89.71 -51.66 5.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -112.52 -40.87 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.22 29.33 4.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -103.35 139.97 38.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -73.39 130.67 40.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.0 t -132.32 110.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 85.8 p -78.38 152.83 32.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -88.69 -45.9 9.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.0 164.52 8.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 82.35 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.365 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.67 43.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.9 p -111.14 33.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 46' ' ' VAL . 8.6 t-20 -116.45 -34.48 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' ASN . 92.7 t -33.76 -43.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.74 -73.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 m -59.28 87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 111.137 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.8 m -54.8 126.62 24.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.88 -38.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 21.7 mt -55.41 -53.41 56.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -48.34 -52.27 22.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -46.6 -41.93 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -72.15 -44.08 63.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CD2' ' CD1' ' A' ' 33' ' ' LEU . 39.9 mt -59.0 -47.58 84.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.467 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 2.0 mtpm? -77.65 -9.62 59.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.7 t -82.66 -42.25 18.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.9 ptp -124.75 -35.4 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.946 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.3 m-70 -92.0 22.98 3.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -51.79 -37.67 52.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -70.26 -40.02 74.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.91 -49.93 74.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 70.4 mt -55.48 -53.94 50.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -50.51 -48.51 56.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -49.41 -47.05 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -84.69 32.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.98 45.7 9.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -112.74 -63.59 1.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 45.08 -110.56 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -91.27 43.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.3 m -39.0 102.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.67 -156.0 25.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.33 24.75 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -54.26 149.8 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.4 p -66.08 116.86 7.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.471 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -72.32 127.41 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 4' ' ' GLY . 33.9 t -126.64 117.25 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.05 150.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.512 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 m -141.16 131.0 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 t -125.73 125.88 43.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . -154.9 -83.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.1 t 35.29 32.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 7' ' ' GLY . 21.6 tt0 -89.42 -25.1 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.52 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -54.66 -21.82 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.409 ' CD2' HD13 ' A' ' 51' ' ' LEU . 34.4 m95 -53.25 -26.33 17.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -59.86 -20.54 57.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CD2' HD13 ' A' ' 33' ' ' LEU . 26.2 m-85 -104.65 18.07 22.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 77.0 m-85 -150.79 152.92 34.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.576 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -140.92 122.08 14.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.8 mt -64.26 142.14 58.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.02 143.01 25.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 111.084 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.56 68.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.38 117.19 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -87.72 34.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.7 173.46 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.04 -42.44 87.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.437 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -39.78 134.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 2.2 t-80 -43.69 140.76 2.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.634 0.73 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 54.6 Cg_endo -69.72 -27.04 27.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.52 69.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -95.93 -48.9 5.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 39' ' ' SER . 34.7 m-85 -132.28 169.05 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.66 141.02 52.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.576 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 15.6 m -102.41 110.88 22.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 4.0 t -62.02 112.03 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 15.4 mtp-105 -71.53 -4.44 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 16.9 mt -87.95 -55.67 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -109.09 -35.46 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.93 28.91 6.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -99.29 145.8 26.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -83.7 122.03 28.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 80.0 t -125.2 128.53 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.193 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.524 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 4.2 t -87.34 164.32 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -102.11 -61.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.27 174.4 45.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 117.44 5.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.71 -27.87 4.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.445 HG11 ' N ' ' A' ' 45' ' ' ASN . 9.9 p -54.43 -22.92 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.088 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.445 ' N ' HG11 ' A' ' 44' ' ' VAL . 1.8 p30 -54.78 -46.34 74.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.1 111.36 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.73 173.69 13.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.8 m -43.42 103.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 111.12 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.3 m -57.13 126.13 25.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.59 -31.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 25.6 mt -61.67 -48.61 80.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 97.3 m95 -55.37 -46.88 76.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -55.04 -34.19 63.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -78.97 -37.7 38.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 59' ' ' HIS . 47.1 mt -64.39 -50.46 67.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -74.99 -10.74 59.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.37 -40.9 17.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.5 ptp -123.7 -35.61 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.8 m-70 -93.7 25.46 3.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 15.4 ttp-105 -50.38 -36.49 32.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -73.27 -44.84 58.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -53.76 -44.79 70.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.23 -59.36 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -45.23 -42.51 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -66.33 -48.41 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' GLY . 68.9 m -99.45 79.96 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 34.33 -116.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.5 m170 41.92 41.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.95 113.12 4.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 58.03 45.8 17.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t -84.88 -44.35 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.74 -66.28 2.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -5.93 17.36 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.9 m 49.83 41.03 21.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 76' ' ' GLY . 22.8 t 37.94 44.74 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 75' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -93.66 108.43 20.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -160.75 156.48 25.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.6 155.97 21.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -38.57 137.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -138.16 159.85 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.74 79.58 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.7 m -88.37 42.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -94.24 -26.15 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -57.72 -26.03 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -53.04 -31.69 42.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.96 -17.07 8.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CD2' HD12 ' A' ' 33' ' ' LEU . 25.1 m-85 -108.95 19.41 19.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 96.6 m-85 -152.03 155.48 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.567 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -142.7 128.3 19.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.86 139.87 56.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.2 150.27 39.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 148.85 65.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.57 92.81 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 13.7 mtp-105 -103.38 -45.3 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.37 78.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.63 -146.38 7.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -80.59 174.98 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 25' ' ' PRO . 2.2 p80 -50.73 153.44 2.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.819 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.433 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 53.8 Cg_endo -69.8 170.42 16.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 60.69 37.96 18.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -92.64 -51.43 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.51 ' CG ' ' HB3' ' A' ' 39' ' ' SER . 7.2 m-85 -118.96 153.06 35.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.59 126.17 55.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.567 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 28.2 m -91.69 109.01 20.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.8 t -54.66 135.04 47.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -92.15 -1.88 56.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 85.0 mt -91.59 -50.6 5.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.21 -38.55 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 26.26 5.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.431 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -87.82 141.0 28.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.31 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -83.08 110.94 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.6 t -118.87 111.9 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.51 ' HB3' ' CG ' ' A' ' 28' ' ' TYR . 53.8 p -93.01 142.2 27.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.458 ' NE ' HG21 ' A' ' 44' ' ' VAL . 18.9 mtp180 -81.29 -44.11 18.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.92 -164.02 46.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.39 29.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.254 . . . . 0.0 112.328 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.82 42.55 3.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG21 ' NE ' ' A' ' 40' ' ' ARG . 12.2 p -90.78 -34.98 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' VAL . 66.4 m-80 -35.33 -38.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' GLY . 58.2 t -41.92 109.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -36.93 -37.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' THR . 92.7 m -81.01 76.94 7.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -33.45 133.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.44 -16.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 16.2 mt -62.52 -44.27 96.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.509 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 99.5 m95 -61.83 -57.2 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -38.93 -38.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -77.68 -40.11 42.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 59' ' ' HIS . 34.5 mt -63.72 -49.85 71.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -75.48 -8.99 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.7 t -85.21 -41.77 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 2.5 ptp -123.41 -31.4 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.9 m-70 -98.27 27.36 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -56.81 -35.0 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -73.2 -34.86 66.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.96 -45.6 77.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.4 mt -63.34 -57.84 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 65' ' ' LYS . 25.6 pt-20 -50.51 -46.05 56.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 11.5 tppt? -52.85 -51.38 61.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m -71.05 -176.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.83 44.38 3.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -103.65 40.78 1.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.12 -55.31 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -39.91 -43.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.924 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.1 t -80.42 134.16 35.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 43.16 63.89 1.91 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.88 30.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.343 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 75' ' ' SER . 49.7 m -130.95 -60.61 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' SER . 5.6 m -36.48 138.08 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.508 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 m -69.33 116.07 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -67.68 165.94 16.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.95 -45.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.536 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -101.25 46.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.2 p -72.4 -19.42 61.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.61 45.25 1.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.1 p -85.36 28.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.53 -39.37 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . . . -52.92 -31.64 41.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -53.54 -29.93 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -57.03 -17.9 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.538 ' CD1' HD13 ' A' ' 33' ' ' LEU . 31.0 m-85 -107.42 18.49 21.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 73.0 m-85 -151.7 150.72 30.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.574 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -137.85 126.97 24.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.37 144.1 57.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.67 144.11 29.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 111.085 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 156.74 62.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.65 2.233 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.02 100.61 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.036 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -75.96 -46.85 27.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.71 174.97 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.23 -133.02 13.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -82.91 158.47 22.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.5 156.85 15.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.54 0.686 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -176.75 1.58 Allowed 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.677 2.252 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 63.03 42.31 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -114.15 -43.23 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 39' ' ' SER . 16.1 m-85 -116.28 148.25 40.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.96 128.72 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.574 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 7.0 m -89.66 113.51 25.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.9 t -61.01 122.54 15.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -80.52 -5.09 56.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 41.6 mt -87.57 -54.36 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.32 -43.2 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.7 30.76 3.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -104.53 163.2 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -92.7 126.24 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -134.31 97.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.506 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 33.6 t -68.74 164.78 20.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -96.04 -52.07 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.77 170.95 32.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.519 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 2.46 3.49 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.89 77.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.0 p -117.99 38.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -129.54 42.45 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.7 t -102.45 40.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.59 -51.78 3.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.429 ' CG2' ' HB2' ' A' ' 52' ' ' TRP . 80.8 m -101.0 104.47 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.119 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.7 m -48.11 126.39 10.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -37.15 -28.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' THR . 21.3 mt -62.41 -49.14 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.437 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 96.3 m95 -45.9 -53.71 9.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.38 -43.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -67.95 -46.11 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' HIS . 63.0 mt -56.77 -49.9 73.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 8.0 mttp -75.04 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -82.8 -41.0 19.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.7 ptp -126.5 -34.09 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 92.7 m-70 -93.46 21.12 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -47.19 -41.02 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -71.54 -45.58 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.32 -47.42 62.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 71.4 mt -59.91 -64.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -46.7 -55.33 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -49.17 -46.53 45.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 t -63.32 -46.73 85.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.94 48.06 0.5 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -109.8 46.51 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.823 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.09 -63.35 4.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -80.42 46.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.4 m -106.63 -40.19 5.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 73' ' ' PRO . . . -147.42 97.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 72' ' ' GLY . 54.2 Cg_endo -69.69 -176.67 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -116.12 170.21 8.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 76' ' ' GLY . 1.1 t -118.23 157.69 26.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.816 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 75' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 50.92 42.92 28.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p 38.42 41.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.45 143.25 6.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.452 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -108.59 141.6 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -112.26 -179.47 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.51 32.74 82.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p -101.5 -9.55 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.899 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.04 -27.83 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' HB3' ' CE2' ' A' ' 52' ' ' TRP . . . -56.86 -33.29 66.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.431 ' CE3' HD13 ' A' ' 51' ' ' LEU . 24.2 m95 -52.75 -30.1 30.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.04 -21.53 31.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -104.4 18.96 21.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 90.2 m-85 -154.04 151.54 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.568 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -141.66 126.22 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD13 ' ND2' ' A' ' 26' ' ' ASN . 13.8 mt -71.65 144.71 49.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.5 143.52 26.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.562 0.696 . . . . 0.0 111.158 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 152.41 69.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.11 115.6 20.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 1.3 mpp_? -106.8 101.57 11.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.56 42.38 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.07 -98.34 1.92 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -130.34 -59.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.8 t-80 -174.72 140.88 0.7 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 54.1 Cg_endo -69.75 2.85 3.16 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.444 ' ND2' HD13 ' A' ' 16' ' ' LEU . 7.9 t-20 -123.9 70.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -124.39 -53.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 55.8 m-85 -124.74 150.05 46.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.55 131.39 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.07 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.568 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 23.8 m -93.07 112.87 24.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 t -60.51 127.61 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -87.21 -2.66 58.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 31.1 mt -89.25 -51.22 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -112.27 -41.7 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.62 30.73 3.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -103.98 145.67 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -80.88 125.42 30.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.24 120.34 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.545 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 65.9 p -91.5 144.98 25.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.7 mtp85 -78.07 -71.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.46 -172.56 15.38 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.4 Cg_endo -69.82 166.78 26.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . 35.34 77.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.94 177.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 65.44 43.9 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -119.97 29.08 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.55 -117.01 3.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.3 m -55.36 98.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.6 m -60.2 127.49 32.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.49 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.49 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 24.8 mt -60.42 -54.83 40.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.521 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 92.1 m95 -46.47 -54.71 8.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -40.47 -44.5 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -69.0 -45.0 71.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 59' ' ' HIS . 37.4 mt -58.12 -41.04 82.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -84.63 -8.55 58.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -82.74 -44.82 15.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.8 ptp -122.87 -38.52 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.1 m-70 -86.85 21.67 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -54.58 -32.17 58.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -72.33 -42.58 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' CD ' HD22 ' A' ' 33' ' ' LEU . 14.8 tt0 -63.84 -37.82 88.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.423 HD12 ' CB ' ' A' ' 55' ' ' LEU . 78.9 mt -67.65 -57.64 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -48.34 -52.39 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -48.08 -44.05 31.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.2 m -95.15 172.65 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.25 50.28 3.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -126.14 -43.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -43.3 -43.18 5.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -87.76 42.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.9 m -104.95 87.17 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 168.6 128.07 0.97 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.75 23.41 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.3 p -128.76 129.87 46.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -152.72 105.88 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.51 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 68' ' ' HIS . 17.5 tt0 -72.85 -30.41 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.523 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -54.91 -31.36 60.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.427 ' CD2' HD11 ' A' ' 51' ' ' LEU . 46.2 m95 -53.8 -27.46 29.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -58.87 -15.31 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 42.0 m-85 -109.41 18.19 20.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 48.4 m-85 -150.65 152.12 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.574 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -135.2 130.91 36.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -76.71 135.72 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.531 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -92.86 158.94 36.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.8 Cg_endo -69.69 153.53 69.14 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.379 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . -61.98 -50.81 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 20' ' ' ARG . 6.3 ppt_? 32.71 38.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -171.82 175.69 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 -43.73 97.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -67.08 131.23 45.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.42 ' ND1' ' O ' ' A' ' 25' ' ' PRO . 2.3 p80 -50.42 154.78 2.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.42 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 53.6 Cg_endo -69.75 175.61 7.87 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 66.58 39.87 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 28' ' ' TYR . 2.7 pm0 -94.61 -36.11 11.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 25.1 m-85 -130.77 164.2 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.25 128.94 46.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.574 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 17.5 m -93.75 115.32 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.9 120.72 13.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -80.82 -0.47 38.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.524 HD13 ' CG ' ' A' ' 59' ' ' HIS . 23.5 mt -90.98 -52.44 4.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.3 p -112.93 -37.62 4.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.5 28.93 4.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -104.98 141.59 36.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -76.55 136.37 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.8 t -134.07 96.14 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 85.5 p -67.64 162.86 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.496 ' C ' HG21 ' A' ' 44' ' ' VAL . 20.4 mtm105 -120.45 -70.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 88.3 -170.23 38.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 151.58 69.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.29 70.64 0.71 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.496 HG21 ' C ' ' A' ' 40' ' ' ARG . 83.9 t -122.39 -41.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -71.17 73.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.96 37.75 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -70.59 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.6 m -88.19 82.41 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.6 m -37.78 125.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.96 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.5 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 23.7 mt -58.38 -55.89 29.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 93.3 m95 -38.73 -52.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -45.9 -43.62 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -71.68 -37.66 70.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 59' ' ' HIS . 68.0 mt -64.07 -42.72 96.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 14.0 mttm -83.91 -9.08 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t -81.35 -42.09 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -124.68 -38.63 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.524 ' CG ' HD13 ' A' ' 33' ' ' LEU . 33.8 m80 -89.3 23.3 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -40.05 57.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.92 -38.91 83.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.19 -49.54 77.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 76.6 mt -59.17 -54.94 41.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -55.82 -47.28 77.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -58.44 -53.63 56.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.5 p -60.68 172.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.89 52.25 3.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.601 ' CE1' ' OE2' ' A' ' 9' ' ' GLU . 35.5 m80 -128.52 88.54 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.36 -84.9 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -109.95 145.37 37.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.778 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.644 ' OE2' ' CD2' ' A' ' 68' ' ' HIS . 8.2 pt-20 -90.73 -15.02 30.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.963 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -60.35 -14.06 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.492 ' CZ3' HD11 ' A' ' 51' ' ' LEU . 53.2 m95 -61.24 -25.28 66.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.53 -12.88 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.4 m-85 -113.57 18.19 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.778 ' CD2' HD22 ' A' ' 51' ' ' LEU . 66.6 m-85 -149.92 152.02 34.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.575 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -140.77 129.18 22.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.497 HD13 ' OD1' ' A' ' 26' ' ' ASN . 59.2 mt -69.66 141.8 53.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.37 141.83 24.04 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.567 0.699 . . . . 0.0 111.121 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' ARG . 54.1 Cg_endo -69.75 153.91 68.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.747 ' HB2' ' HD3' ' A' ' 25' ' ' PRO . . . -59.91 76.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -111.64 -30.64 7.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.03 -50.82 15.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.22 -97.76 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -40.69 150.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -39.51 155.27 0.16 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.721 . . . . 0.0 110.821 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.747 ' HD3' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.74 -172.68 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.232 . . . . 0.0 112.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.497 ' OD1' HD13 ' A' ' 16' ' ' LEU . 30.4 m-80 62.2 43.77 8.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -114.23 -40.73 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 14.4 m-85 -128.23 152.59 47.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.57 130.75 56.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.575 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 25.9 m -94.01 109.27 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.0 t -60.55 117.14 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -78.37 1.61 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD12 ' CD2' ' A' ' 55' ' ' LEU . 14.8 mt -92.93 -52.31 4.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.15 -32.63 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.2 24.24 7.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -88.2 142.95 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.14 118.44 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.2 t -122.87 118.43 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 53.5 p -103.94 114.03 27.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.562 ' O ' HG23 ' A' ' 44' ' ' VAL . 9.1 ptm180 -65.39 -45.54 83.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.8 -173.58 7.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -11.76 31.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.25 23.08 8.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 40' ' ' ARG . 95.1 t -134.96 126.98 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.849 0.357 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' VAL . 7.7 m120 -139.26 166.46 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' ASN . 81.5 t -36.08 124.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.83 -79.98 0.21 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.8 m -133.24 88.68 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -44.09 124.52 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB2' HG21 ' A' ' 44' ' ' VAL . . . -37.25 -32.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 14' ' ' PHE . 24.0 mt -60.49 -47.45 86.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.963 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 95.3 m95 -48.86 -47.59 42.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -52.52 -36.54 55.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -76.13 -35.43 59.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' HIS . 84.4 mt -67.47 -50.16 60.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -76.52 -9.08 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.8 t -84.06 -38.75 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.3 ptp -128.66 -32.77 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' LEU . 44.8 m80 -94.92 25.04 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -58.0 -30.84 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -79.01 -38.57 36.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -61.59 -56.28 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -45.11 -54.49 6.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -48.03 -48.1 33.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -48.25 -54.59 13.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -68.4 177.2 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.74 45.98 3.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.644 ' CD2' ' OE2' ' A' ' 9' ' ' GLU . 28.0 m170 -117.9 114.05 22.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.74 -46.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -88.8 39.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 98.0 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.794 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -92.24 -33.41 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.63 -27.35 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CH2' ' HD2' ' A' ' 40' ' ' ARG . 25.7 m95 -53.23 -29.03 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -58.14 -19.17 30.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.555 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.2 m-85 -106.18 18.61 21.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CD2' HD22 ' A' ' 51' ' ' LEU . 25.5 m-85 -150.01 156.55 41.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.587 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.04 123.54 13.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.507 HD13 ' OD1' ' A' ' 26' ' ' ASN . 84.7 mt -59.32 150.87 24.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.74 144.83 30.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.02 36.95 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.85 137.88 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -111.43 72.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 40.49 41.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.92 -110.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -58.26 169.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -74.69 156.45 86.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -6.33 18.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.507 ' OD1' HD13 ' A' ' 16' ' ' LEU . 33.4 m-80 -107.01 48.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.452 ' O ' ' NH2' ' A' ' 40' ' ' ARG . 5.0 tp60 -93.08 -60.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 19.7 m-85 -123.13 165.18 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -118.11 123.49 45.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.587 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 39.7 m -87.13 111.46 20.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.4 t -62.43 117.76 6.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -76.62 -3.85 39.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.598 HD12 ' CD2' ' A' ' 55' ' ' LEU . 23.4 mt -88.73 -54.91 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.46 -39.8 5.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.32 28.72 4.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -106.04 144.07 33.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -82.95 130.54 35.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.0 t -136.09 111.7 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.557 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 66.4 p -86.23 134.95 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.687 ' HG3' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -117.94 -31.6 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.438 ' O ' ' NH1' ' A' ' 40' ' ' ARG . . . 141.77 161.13 8.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.78 15.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.51 87.8 0.39 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.687 HG11 ' HG3' ' A' ' 40' ' ' ARG . 2.1 p -120.76 117.68 53.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -123.8 -66.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.79 174.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.63 173.53 41.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.8 m -71.85 79.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.622 HG23 HG21 ' A' ' 44' ' ' VAL . 2.9 m -40.53 123.39 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . . . -35.45 -39.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 14' ' ' PHE . 29.9 mt -50.63 -48.12 58.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.536 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 82.9 m95 -52.87 -50.01 64.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -49.63 -40.43 39.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -72.02 -43.0 65.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.598 ' CD2' HD12 ' A' ' 33' ' ' LEU . 33.9 mt -61.01 -49.35 77.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 2.4 mtpm? -75.23 -9.5 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 t -84.61 -42.07 15.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.7 ptp -123.33 -33.11 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' LEU . 42.0 m80 -95.56 26.3 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.791 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -54.44 -35.36 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.81 -41.75 64.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.31 -43.66 98.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 77.2 mt -63.05 -58.93 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -51.97 -45.63 64.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -49.53 -50.55 41.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 m -68.51 -57.54 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.96 43.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -126.39 92.7 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -126.38 -57.29 0.15 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -84.81 35.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.813 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -46.72 -35.89 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.478 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.02 -37.49 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -52.93 -30.61 35.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -57.29 -20.28 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.626 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 25.1 m-85 -105.12 17.95 23.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 17.0 m-85 -151.79 159.45 43.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.573 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.66 127.21 16.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.452 HD13 ' OD1' ' A' ' 26' ' ' ASN . 89.7 mt -59.34 138.14 57.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.9 138.74 24.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 134.62 28.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . -87.15 -67.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.0 ptm180 33.87 38.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -126.23 -62.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.98 -39.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.22 157.42 22.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -55.51 152.78 16.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.88 17.85 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.734 2.289 . . . . 0.0 112.329 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.452 ' OD1' HD13 ' A' ' 16' ' ' LEU . 63.7 m-20 62.7 40.11 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -70.56 -72.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 39' ' ' SER . 3.0 m-85 -115.92 165.87 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -111.62 148.11 34.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.573 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 7.8 m -110.88 111.54 22.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -59.09 116.29 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -76.99 -2.83 35.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.623 HD12 ' CD2' ' A' ' 55' ' ' LEU . 19.3 mt -90.3 -54.34 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.2 p -108.17 -40.14 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.66 25.36 5.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -97.23 154.37 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 8.1 mp0 -84.78 128.16 34.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 67.5 t -134.44 110.12 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 8.8 t -81.84 154.32 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -52.49 -43.19 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 48.39 -175.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 157.14 61.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.55 61.51 7.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.77 -37.12 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' VAL . 6.6 p30 -84.97 -37.41 20.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 47' ' ' GLY . 7.4 p -35.05 -45.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.491 ' N ' HG13 ' A' ' 46' ' ' VAL . . . 169.94 -56.25 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.1 m -81.24 91.09 6.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 111.155 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' TRP . 4.3 m -47.76 127.33 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.31 -37.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.592 HD22 ' CD2' ' A' ' 14' ' ' PHE . 20.5 mt -56.65 -47.6 79.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.478 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 86.8 m95 -48.4 -45.55 36.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 57' ' ' SER . 24.0 mttp -54.26 -35.3 62.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -78.95 -43.21 25.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.623 ' CD2' HD12 ' A' ' 33' ' ' LEU . 36.1 mt -60.79 -47.57 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -76.82 -9.46 58.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 12.3 t -83.78 -40.94 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.8 ptp -125.72 -34.12 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.481 ' N ' ' HG3' ' A' ' 58' ' ' MET . 53.2 m80 -93.65 25.44 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -55.31 -35.24 64.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.64 -39.91 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.72 -50.83 71.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 55' ' ' LEU . 66.7 mt -54.53 -60.46 3.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -52.56 -42.64 64.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -55.18 -42.68 73.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -85.2 36.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.12 74.02 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -128.06 -46.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.11 -100.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.422 ' CD ' ' H ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -79.54 134.55 36.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.84 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.785 0.326 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -47.95 -34.85 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -50.57 -35.27 29.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -52.94 -31.76 42.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -56.85 -16.99 7.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.586 ' CD2' HD11 ' A' ' 33' ' ' LEU . 28.9 m-85 -108.69 19.22 19.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 79.3 m-85 -151.7 152.24 32.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.589 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -137.62 129.24 28.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.576 HD22 ' OD1' ' A' ' 26' ' ' ASN . 97.8 mt -64.83 141.17 58.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.89 144.9 28.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.728 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 155.7 65.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.41 97.36 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -110.33 -52.06 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.06 -55.54 11.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.95 -30.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' HIS . 36.8 m80 -78.18 153.13 32.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.815 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -37.63 155.59 0.1 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.644 0.735 . . . . 0.0 110.838 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 169.56 18.7 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.576 ' OD1' HD22 ' A' ' 16' ' ' LEU . 18.7 t-20 74.57 33.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -64.82 -72.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 3.1 m-85 -120.25 161.64 20.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -101.77 128.62 48.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.589 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 9.2 m -94.99 110.82 22.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.5 t -57.91 130.61 47.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -89.01 1.12 56.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 55' ' ' LEU . 54.1 mt -94.29 -47.2 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.5 p -121.85 -37.25 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.03 27.77 5.24 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -88.3 138.55 31.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -78.61 116.64 19.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 58.8 t -131.02 125.1 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 47.5 p -94.94 165.08 12.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -122.54 -47.76 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.98 -166.42 53.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 178.98 4.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.282 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.21 69.38 0.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.588 HG22 ' N ' ' A' ' 45' ' ' ASN . 14.6 p -131.56 164.78 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.588 ' N ' HG22 ' A' ' 44' ' ' VAL . 11.7 t-20 72.55 39.82 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.2 t -104.88 -41.06 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.25 -76.03 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' THR . 57.6 m -115.46 85.83 2.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.873 0.368 . . . . 0.0 111.157 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.8 m -37.75 128.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.48 -33.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 24.0 mt -57.38 -50.36 73.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.563 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 90.0 m95 -48.36 -52.29 22.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -43.45 -42.33 4.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.83 -47.88 57.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.625 ' CD2' HD12 ' A' ' 33' ' ' LEU . 25.9 mt -56.5 -45.01 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -78.98 -9.15 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.3 t -84.15 -37.88 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.1 ptp -128.82 -34.98 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.487 ' N ' ' HG3' ' A' ' 58' ' ' MET . 50.7 m80 -93.12 24.99 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -54.85 -35.0 63.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 43.7 mt-10 -74.19 -39.47 63.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.65 -44.83 96.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 55' ' ' LEU . 76.5 mt -63.05 -58.1 8.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -52.85 -43.05 65.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 10.4 mmmt -52.63 -53.25 49.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.9 m -74.98 159.15 32.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' SER . . . -34.5 -42.81 0.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -55.42 100.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' GLN . . . -120.0 130.95 8.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' GLY . 28.2 pt20 34.91 42.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.812 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -98.99 -31.43 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -52.65 -25.3 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -52.87 -32.0 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -56.98 -19.07 16.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.652 ' CD2' HD11 ' A' ' 33' ' ' LEU . 52.9 m-85 -104.5 17.33 24.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.493 ' CG ' HD22 ' A' ' 51' ' ' LEU . 96.8 m-85 -150.22 156.74 42.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.578 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -142.26 130.74 22.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -68.23 144.68 54.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.0 152.68 43.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.556 0.693 . . . . 0.0 111.135 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 135.16 29.6 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.92 144.67 34.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -96.73 -53.17 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.84 172.93 12.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 23' ' ' HIS . . . -41.08 -37.95 1.62 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.545 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' GLY . 18.0 m170 -37.18 109.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 154.93 1.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.13 2.92 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.372 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.54 40.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -84.62 -70.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.547 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 46.6 m-85 -126.54 146.92 49.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.46 125.93 51.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.578 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 29.6 m -90.58 111.04 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 10.2 t -60.64 127.31 31.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -86.59 0.73 53.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.652 HD11 ' CD2' ' A' ' 13' ' ' TYR . 61.5 mt -93.27 -49.28 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.23 -38.46 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.69 31.64 3.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -103.19 139.66 38.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 14.9 mp0 -77.85 127.98 33.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.566 HG12 ' NH2' ' A' ' 40' ' ' ARG . 62.2 t -135.41 118.43 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.547 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 34.4 p -84.97 165.57 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.706 ' HB3' HG11 ' A' ' 44' ' ' VAL . 12.3 mmp_? -84.87 -47.05 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.29 176.59 41.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.525 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 104.62 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.264 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.83 73.24 1.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 40' ' ' ARG . 2.8 p -116.61 -7.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -101.31 -32.18 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -37.1 -32.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' THR . . . -178.85 -136.26 2.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' GLY . 22.6 m -33.9 105.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 111.154 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.8 m -58.93 126.31 27.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.497 ' H ' HG23 ' A' ' 44' ' ' VAL . . . -34.86 -33.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.493 HD22 ' CG ' ' A' ' 14' ' ' PHE . 15.0 mt -56.62 -49.26 75.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.503 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 96.6 m95 -53.9 -53.46 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -40.05 -42.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -72.35 -45.03 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' HIS . 57.4 mt -57.93 -45.18 86.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -79.03 -9.51 59.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 t -83.01 -38.68 22.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.4 ptp -129.13 -36.31 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.591 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.0 m-70 -90.31 18.58 5.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.75 -36.59 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -76.69 -40.29 49.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' OE1' HD22 ' A' ' 33' ' ' LEU . 5.1 tt0 -57.44 -46.58 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 75.9 mt -58.79 -53.06 62.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -44.23 -47.33 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -56.74 -45.4 82.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.2 m -64.64 -56.85 11.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.17 43.45 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -121.77 82.6 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.95 -53.33 34.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -130.5 -51.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.4 -37.49 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.601 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.95 -30.63 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -53.49 -29.27 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -58.02 -18.99 27.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.599 ' CD2' HD11 ' A' ' 33' ' ' LEU . 49.9 m-85 -105.61 18.29 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 35.9 m-85 -151.09 159.33 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.87 127.94 17.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.93 145.01 56.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -91.94 158.89 39.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 111.062 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.5 Cg_endo -69.8 144.68 54.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.29 167.09 13.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 10.6 ptm180 -103.03 150.73 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -33.93 106.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.63 -73.2 0.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -83.44 141.9 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -77.67 158.41 78.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.473 ' HA ' HE22 ' A' ' 27' ' ' GLN . 54.1 Cg_endo -69.74 3.79 2.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -96.31 44.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.473 HE22 ' HA ' ' A' ' 25' ' ' PRO . 2.6 pm0 -98.6 -34.69 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 68.0 m-85 -155.65 161.75 40.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.61 135.28 53.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.582 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 10.6 m -102.05 111.47 23.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.05 126.02 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -84.15 1.28 45.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 13' ' ' TYR . 94.7 mt -94.07 -50.99 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.59 -36.35 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.66 25.05 6.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -90.39 136.37 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -79.23 123.97 27.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.1 t -126.31 110.63 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.58 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 92.3 p -87.11 138.99 31.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.688 ' O ' HG21 ' A' ' 44' ' ' VAL . 10.8 ptm180 -110.23 -41.42 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 40' ' ' ARG . . . 112.42 164.02 16.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -50.33 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.75 84.47 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.688 HG21 ' O ' ' A' ' 40' ' ' ARG . 92.0 t -126.79 101.48 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -119.22 81.86 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -130.98 172.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.88 -37.54 15.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.2 m -102.95 97.36 7.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.4 m -51.12 128.5 21.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.52 -34.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 14' ' ' PHE . 17.7 mt -58.55 -53.13 61.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.601 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 87.6 m95 -40.04 -52.32 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.91 -42.88 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -69.71 -41.24 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.52 ' HB3' HD21 ' A' ' 63' ' ' LEU . 44.4 mt -62.33 -47.3 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -76.83 -9.47 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.0 t -82.98 -42.41 17.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.8 ptp -124.31 -34.15 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 58' ' ' MET . 42.6 m80 -93.97 24.94 3.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -53.08 -33.08 50.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -76.12 -45.8 32.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.21 -51.71 65.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 55' ' ' LEU . 84.4 mt -52.0 -63.2 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -45.98 -45.33 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -52.17 -46.14 65.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.9 m -88.75 16.78 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.07 68.37 1.72 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -124.24 82.18 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -131.66 -39.38 0.24 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -41.16 -28.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.84 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -85.78 -32.83 21.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.646 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.8 -25.44 7.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.546 ' CD2' HD11 ' A' ' 51' ' ' LEU . 33.2 m95 -52.55 -28.33 20.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -56.67 -22.74 36.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' CD1' HD11 ' A' ' 33' ' ' LEU . 37.9 m-85 -101.66 16.8 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.663 ' CG ' HD22 ' A' ' 51' ' ' LEU . 93.3 m-85 -146.58 157.33 43.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.593 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.12 125.14 14.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.9 mt -63.22 152.64 36.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.77 148.27 36.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.533 0.683 . . . . 0.0 111.131 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 157.86 59.02 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.16 120.52 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -92.31 -47.82 6.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.73 150.38 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.86 -56.4 0.49 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.52 157.52 37.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 153.24 62.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 3.2 2.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -101.25 31.67 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -67.98 -70.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 39' ' ' SER . 3.5 m-85 -125.64 166.4 16.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.45 128.47 56.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.593 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 20.8 m -92.44 114.63 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 6.6 t -64.07 116.25 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.98 -4.71 45.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.493 HD12 ' CD2' ' A' ' 55' ' ' LEU . 17.0 mt -86.95 -54.55 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.34 -41.2 5.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.01 29.32 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -99.77 158.61 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -90.63 123.89 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -135.51 121.35 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.559 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 7.5 t -106.01 130.44 53.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mtp-105 -59.92 -64.86 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.51 163.61 11.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -1.56 8.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -178.5 69.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.5 t -92.44 119.8 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -53.87 159.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.2 t -79.15 85.92 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.79 -113.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.7 m -70.84 76.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 111.135 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.7 m -45.99 125.7 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.1 -37.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.663 HD22 ' CG ' ' A' ' 14' ' ' PHE . 24.0 mt -52.25 -55.01 24.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.646 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 88.3 m95 -48.63 -52.8 21.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -46.69 -43.37 17.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -69.96 -36.98 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' A' ' 63' ' ' LEU . 65.5 mt -65.66 -46.36 79.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -77.16 -9.56 58.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -84.28 -43.43 14.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.4 ptp -122.09 -36.39 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.482 ' N ' ' HG3' ' A' ' 58' ' ' MET . 40.8 m80 -90.97 23.48 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -52.67 -38.05 59.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -70.53 -40.88 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.7 -45.56 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' A' ' 55' ' ' LEU . 66.7 mt -64.19 -54.52 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.15 -44.03 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.91 -44.21 85.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.2 m -64.0 174.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' HIS . . . -68.02 -42.1 85.76 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' GLY . 33.1 m-70 -35.58 149.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.85 -38.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.82 76.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.825 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -91.07 -35.08 14.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -49.32 -29.82 6.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -52.76 -30.31 32.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -56.82 -21.6 30.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.8 m-85 -103.77 18.18 22.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD2' HD22 ' A' ' 51' ' ' LEU . 50.8 m-85 -150.94 156.87 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.585 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -137.42 129.81 29.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.8 mt -71.27 146.81 48.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -91.94 155.39 43.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.561 0.696 . . . . 0.0 111.111 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.9 Cg_endo -69.74 141.41 45.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.87 113.66 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -109.66 -48.3 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.71 37.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' HIS . . . 75.07 -62.69 2.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' GLY . 4.3 m-70 -35.74 137.09 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.97 154.14 0.22 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -2.56 10.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -88.81 42.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -80.31 -74.91 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 39' ' ' SER . 3.4 m-85 -118.45 173.91 6.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.23 124.24 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.585 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 29.8 m -88.93 118.03 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.44 119.66 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -80.71 0.19 35.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 59' ' ' HIS . 20.7 mt -92.02 -51.26 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.7 p -114.09 -37.65 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.37 26.6 5.35 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.431 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -98.45 142.99 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.462 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 16.1 mp0 -81.57 127.74 33.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.8 t -134.14 111.82 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 57.0 p -95.64 147.3 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.8 mtm-85 -93.23 -54.65 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.45 179.74 20.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.5 68.47 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.3 p -46.99 135.31 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -70.32 148.55 48.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.6 t -79.41 89.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.71 -114.13 0.45 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.0 m -79.93 83.19 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.866 0.365 . . . . 0.0 111.149 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.42 127.1 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.27 -37.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.518 HD22 ' CD2' ' A' ' 14' ' ' PHE . 23.0 mt -54.62 -49.73 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.576 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 82.3 m95 -48.2 -48.07 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -50.89 -38.63 50.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -74.45 -42.37 59.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 59' ' ' HIS . 37.8 mt -61.25 -50.05 74.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -74.24 -9.37 58.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 t -83.44 -41.32 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.6 ptp -126.08 -33.96 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' LEU . 39.2 m80 -95.07 26.34 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.4 ttm105 -54.94 -32.83 61.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -76.13 -44.58 37.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.08 -47.86 74.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.5 mt -54.93 -57.79 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -46.67 -48.87 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -52.15 -36.01 50.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -85.41 32.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.93 50.13 27.62 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -114.53 106.01 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.796 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.27 136.46 7.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 62.37 35.89 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.9 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.823 0.344 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -69.92 -36.23 75.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.494 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -49.36 -36.33 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -54.01 -29.22 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.86 -8.68 5.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 31.6 m-85 -117.42 18.85 14.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.641 ' CD2' HD22 ' A' ' 51' ' ' LEU . 35.9 m-85 -152.29 155.89 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.58 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -142.29 127.1 18.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.62 141.51 58.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.65 142.87 26.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 146.73 61.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.36 157.92 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 10.3 ptp85 -112.12 -44.89 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 20' ' ' ARG . . . -80.86 176.32 9.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.6 -36.92 2.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -44.42 121.07 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -48.28 157.5 0.67 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.0 3.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.313 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -109.45 79.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -104.8 -71.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 2.8 m-85 -121.72 168.39 11.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.69 122.43 46.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.58 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 43.1 m -88.01 111.53 21.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.38 120.51 10.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -82.72 -0.2 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.583 HD12 ' CD2' ' A' ' 55' ' ' LEU . 16.5 mt -93.51 -49.4 5.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -112.53 -37.87 4.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.6 26.14 6.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -101.1 145.5 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -86.99 127.85 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.5 t -133.23 122.95 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.545 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 34.8 p -79.32 153.79 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.8 ' HD2' HG21 ' A' ' 44' ' ' VAL . 65.5 mtm-85 -74.31 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.98 170.09 43.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 97.85 0.66 Allowed 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.36 47.66 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.916 HG13 ' OD1' ' A' ' 45' ' ' ASN . 8.2 p -103.55 164.52 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 111.102 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.916 ' OD1' HG13 ' A' ' 44' ' ' VAL . 2.4 p-10 45.97 43.03 10.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 44' ' ' VAL . 74.6 t -125.19 -40.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.56 -56.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' THR . 26.1 m -131.33 85.96 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 111.195 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -37.88 125.32 1.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HA ' ' CE ' ' A' ' 53' ' ' LYS . . . -39.63 -32.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.641 HD22 ' CD2' ' A' ' 14' ' ' PHE . 16.4 mt -63.07 -43.55 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.494 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 70.9 m95 -50.93 -41.18 58.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -60.52 -28.88 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -86.43 -34.03 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.583 ' CD2' HD12 ' A' ' 33' ' ' LEU . 50.3 mt -69.16 -47.53 64.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -77.55 -9.89 59.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -86.13 -39.69 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.636 ' SD ' ' CE1' ' A' ' 59' ' ' HIS . 2.8 ptp -122.86 -36.13 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.636 ' CE1' ' SD ' ' A' ' 58' ' ' MET . 41.0 m80 -94.64 26.1 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -52.81 -38.1 60.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -70.0 -43.13 72.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.6 -30.93 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 55' ' ' LEU . 81.3 mt -77.35 -60.79 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -53.42 -52.01 60.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 66' ' ' SER . 9.7 pttp -45.22 -31.62 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 6.3 t -89.44 -53.88 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.58 32.47 0.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -116.48 36.76 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.92 -59.44 4.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -99.14 74.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -91.92 -25.21 19.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.648 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -58.04 -20.97 43.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -51.05 -28.26 9.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.667 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 15.4 pt-20 -54.89 -27.07 39.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.667 ' CE1' ' CG ' ' A' ' 12' ' ' GLU . 26.6 m-85 -99.7 19.08 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 85.6 m-85 -148.1 157.69 43.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.585 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -141.52 129.23 21.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 26' ' ' ASN . 35.5 mt -64.83 146.37 54.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.86 136.62 26.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.1 66.75 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.649 2.232 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.62 96.17 10.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.056 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -69.56 70.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 38.19 43.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.82 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -58.75 112.25 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 56.8 t-80 -42.51 140.71 1.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 53.3 Cg_endo -69.8 178.42 4.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.453 ' HA ' HD22 ' A' ' 16' ' ' LEU . 5.1 m120 49.48 37.65 12.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -91.25 -70.98 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 3.1 m-85 -115.97 162.47 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.4 140.18 48.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.585 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 21.2 m -103.44 117.1 33.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.9 t -63.74 121.87 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.482 ' NE ' ' HB3' ' A' ' 15' ' ' HIS . 81.5 mtt-85 -81.72 -3.91 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.639 HD11 ' CD2' ' A' ' 13' ' ' TYR . 54.4 mt -89.77 -53.93 4.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -106.33 -42.46 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.29 25.97 5.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -94.44 173.75 7.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -108.93 126.59 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.0 t -135.23 111.75 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 54.2 p -89.59 153.46 20.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.422 ' HB2' HG11 ' A' ' 44' ' ' VAL . 9.6 ptm180 -110.79 -46.66 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 40' ' ' ARG . . . 115.64 168.29 15.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -0.35 6.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.582 ' O ' HG12 ' A' ' 44' ' ' VAL . . . -141.9 -69.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 43' ' ' GLY . 7.2 p 44.55 31.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -82.65 79.54 9.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.499 HG23 ' N ' ' A' ' 47' ' ' GLY . 35.6 m -127.69 -45.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.499 ' N ' HG23 ' A' ' 46' ' ' VAL . . . 149.7 -67.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' THR . 42.2 m -82.4 86.55 6.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 3.0 m -36.5 129.55 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.47 -36.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 20.7 mt -56.89 -54.58 44.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.648 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 86.4 m95 -46.72 -53.99 10.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -45.79 -44.07 13.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -68.08 -43.81 77.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.589 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 49.8 mt -60.59 -47.57 85.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -75.9 -9.72 58.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.6 t -84.28 -39.68 18.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.3 ptp -126.97 -34.75 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' A' ' 55' ' ' LEU . 42.8 m80 -92.87 20.19 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -47.88 -36.87 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.69 -47.04 56.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -56.05 -32.26 63.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.431 HD11 ' CB ' ' A' ' 55' ' ' LEU . 70.3 mt -76.42 -55.17 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.69 -51.96 65.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 66' ' ' SER . 41.1 pttt -47.64 -32.22 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.1 t -90.07 -69.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.96 35.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -121.19 39.63 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.69 -57.19 2.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.539 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -88.19 81.53 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.851 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -82.55 -38.71 23.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.33 -33.36 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CD2' HD11 ' A' ' 51' ' ' LEU . 32.7 m95 -52.81 -32.5 44.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.03 -14.61 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CD2' HD11 ' A' ' 33' ' ' LEU . 36.8 m-85 -110.15 19.09 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 51' ' ' LEU . 98.1 m-85 -149.36 154.15 38.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.586 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -138.51 129.99 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.45 148.78 47.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.96 143.94 28.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.56 67.68 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.96 140.0 52.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -129.08 -55.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.65 -44.66 47.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.88 89.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' HIS . 13.3 p80 -174.59 124.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.581 ' CD2' ' HD2' ' A' ' 25' ' ' PRO . 1.8 t-80 -38.15 139.61 0.63 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.525 0.678 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.581 ' HD2' ' CD2' ' A' ' 24' ' ' HIS . 54.2 Cg_endo -69.74 2.98 3.03 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.414 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -100.66 38.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -81.97 -60.75 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 9.8 m-85 -139.38 153.96 47.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.62 130.34 56.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.586 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 27.8 m -94.53 116.78 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 8.6 t -63.73 126.07 26.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -86.85 -0.9 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 13' ' ' TYR . 31.1 mt -91.86 -48.1 6.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.6 p -118.84 -39.55 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 37' ' ' GLN . . . 111.6 23.17 5.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -89.52 142.57 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.763 0.316 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 6.0 mp0 -85.1 122.82 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.32 116.12 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 90.1 p -100.94 161.81 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.406 ' HB3' HG21 ' A' ' 44' ' ' VAL . 40.7 mtp85 -97.81 -48.86 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.3 -177.21 23.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.76 145.19 56.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . 34.04 87.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.406 HG21 ' HB3' ' A' ' 40' ' ' ARG . 95.6 t -120.37 143.57 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.104 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -175.06 116.24 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.727 HG22 ' H ' ' A' ' 48' ' ' THR . 5.7 p -168.15 137.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.77 -33.27 4.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.727 ' H ' HG22 ' A' ' 46' ' ' VAL . 91.8 m -96.31 90.36 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 111.14 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 51' ' ' LEU . 15.1 m -44.85 124.72 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.94 -33.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 23.9 mt -57.74 -56.89 16.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -38.6 -54.76 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HE3' ' CG2' ' A' ' 48' ' ' THR . 1.4 mptm? -39.85 -46.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -69.65 -45.72 67.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 59' ' ' HIS . 71.6 mt -56.48 -47.37 79.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 18.4 mttm -78.12 -9.34 59.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 40.9 t -81.98 -41.61 20.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.2 ptp -127.1 -33.99 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.487 ' C ' ' O ' ' A' ' 55' ' ' LEU . 33.3 m80 -92.94 24.39 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' CZ ' ' OE2' ' A' ' 64' ' ' GLU . 72.3 ttt-85 -53.05 -39.09 62.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -69.91 -38.82 76.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.68 -40.82 93.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.497 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 74.1 mt -69.47 -54.41 14.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' OE2' ' CZ ' ' A' ' 60' ' ' ARG . 24.3 mt-10 -53.41 -41.01 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 1.4 tmmm? -74.23 -55.03 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.6 p -44.41 -42.37 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.69 54.29 2.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.63 45.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.87 -179.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -78.75 64.38 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.936 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.77 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -80.01 -33.86 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.61 -30.03 12.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CD2' HD11 ' A' ' 51' ' ' LEU . 41.3 m95 -53.35 -29.97 36.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.82 -11.63 3.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CD2' HD11 ' A' ' 33' ' ' LEU . 44.9 m-85 -112.93 18.45 18.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 88.9 m-85 -150.59 156.19 40.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.577 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.03 127.8 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.734 HD22 ' HA ' ' A' ' 26' ' ' ASN . 47.2 mt -72.39 134.12 45.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.95 152.02 42.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 150.32 68.23 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.56 92.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -106.71 118.88 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 44.4 43.0 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.91 -166.85 20.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -70.4 173.05 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.409 ' ND1' ' C ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -41.41 157.6 0.2 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.54 0.686 . . . . 0.0 110.916 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -171.68 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.649 2.232 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.734 ' HA ' HD22 ' A' ' 16' ' ' LEU . 2.4 m120 59.46 40.57 20.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -109.22 -40.31 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 37.3 m-85 -124.28 143.18 50.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.55 122.92 47.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.577 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 21.7 m -90.27 110.99 22.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 7.4 t -61.71 122.71 16.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -83.05 1.06 42.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.522 HD11 ' CD2' ' A' ' 13' ' ' TYR . 29.8 mt -93.4 -50.48 5.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -112.8 -37.48 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.15 29.29 4.91 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -104.71 146.15 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -86.51 131.21 34.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.65 98.92 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 69.5 p -58.81 114.85 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.448 ' CD ' HG11 ' A' ' 44' ' ' VAL . 12.7 ttp-105 -54.39 -60.62 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.33 -162.75 13.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' VAL . 53.7 Cg_endo -69.78 -163.72 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . -34.2 93.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 44' ' ' VAL . 10.0 p -102.51 37.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 111.113 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -89.5 73.24 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -134.77 147.97 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.3 -33.71 2.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.8 m -103.74 84.74 2.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 111.171 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.9 m -50.68 129.93 23.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.16 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 11' ' ' TRP . 16.0 mt -62.72 -54.94 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -40.82 -54.64 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -39.41 -43.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -73.14 -44.39 60.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.673 ' CB ' HD11 ' A' ' 63' ' ' LEU . 66.3 mt -59.08 -34.16 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -92.31 -8.84 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -83.11 -37.5 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.502 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -128.7 -39.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.502 ' N ' ' HG3' ' A' ' 58' ' ' MET . 45.8 m80 -88.83 22.42 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -49.14 -39.49 28.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -71.66 -41.17 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -56.79 -51.12 70.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.673 HD11 ' CB ' ' A' ' 55' ' ' LEU . 89.7 mt -59.66 -62.27 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -39.21 -47.74 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -50.17 -53.13 29.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -75.75 -175.54 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.29 46.18 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -126.63 39.21 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.7 7.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -131.61 131.85 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.843 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.8 -48.51 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.52 ' HB1' ' CD1' ' A' ' 55' ' ' LEU . . . -48.14 -27.22 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -53.05 -32.34 46.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.99 -16.84 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.468 ' HB2' HD21 ' A' ' 55' ' ' LEU . 32.0 m-85 -108.19 18.58 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CG ' HD22 ' A' ' 51' ' ' LEU . 98.1 m-85 -152.28 155.54 37.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.579 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -144.15 128.59 17.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 26' ' ' ASN . 72.7 mt -69.01 141.3 54.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.3 151.9 37.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.101 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 141.63 45.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HB2' ' CA ' ' A' ' 25' ' ' PRO . . . -78.46 96.47 5.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.063 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -107.39 -44.06 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.63 -53.16 25.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.92 -72.3 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.51 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -46.95 146.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.33 158.31 0.77 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.457 ' CA ' ' HB2' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.72 -168.06 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.528 ' HA ' HD22 ' A' ' 16' ' ' LEU . 2.8 m120 59.04 41.35 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -106.14 -44.37 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 34.3 m-85 -129.05 150.03 50.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.46 126.34 55.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.579 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 30.6 m -87.58 112.38 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.456 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 9.8 t -64.09 128.49 36.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -84.75 -7.08 59.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.587 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.1 mt -84.43 -55.88 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -105.55 -43.54 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.74 31.76 2.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -110.45 143.89 40.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -82.43 127.77 33.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -126.02 103.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 20.6 p -73.71 142.67 46.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -51.38 -60.6 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.48 -178.82 16.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -46.15 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.14 52.57 0.6 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.744 HG21 ' HB2' ' A' ' 50' ' ' ALA . 14.4 p -54.64 143.59 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.172 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -75.7 122.89 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.67 -51.14 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.11 -72.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -86.86 86.54 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.15 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.4 m -45.19 126.28 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.744 ' HB2' HG21 ' A' ' 44' ' ' VAL . . . -35.41 -36.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.053 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.572 HD22 ' CG ' ' A' ' 14' ' ' PHE . 25.6 mt -55.69 -53.58 54.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 93.5 m95 -46.26 -53.48 10.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -40.07 -43.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -74.38 -41.06 61.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.522 ' HB3' HD21 ' A' ' 63' ' ' LEU . 56.8 mt -60.96 -33.6 73.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -92.3 -8.55 44.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -82.82 -41.58 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.502 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -125.24 -37.45 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.587 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 89.7 m-70 -90.42 24.23 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -54.66 -34.33 62.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -76.34 -40.86 50.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.13 -42.15 94.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 55' ' ' LEU . 76.5 mt -59.94 -58.91 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.46 -43.11 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -53.82 -49.08 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.22 35.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' HIS . . . 58.12 -92.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' GLY . 28.2 m-70 34.55 39.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.91 -51.81 42.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -98.15 78.1 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.946 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.767 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -92.62 -34.49 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.639 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -54.05 -26.98 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -53.85 -26.37 24.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -59.82 -20.1 54.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.673 ' CD2' HD11 ' A' ' 33' ' ' LEU . 36.9 m-85 -107.25 19.22 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.658 ' CG ' HD22 ' A' ' 51' ' ' LEU . 95.4 m-85 -150.98 157.43 42.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.58 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.91 128.76 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 26' ' ' ASN . 57.5 mt -69.08 137.41 53.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.93 143.97 28.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.07 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 160.77 48.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.25 111.85 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.2 -18.02 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.84 -48.89 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.62 -53.14 0.44 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' HIS . 2.0 t-80 -48.94 137.93 12.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' HIS . 2.2 p-80 -36.47 155.16 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.707 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 174.21 9.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.462 ' HA ' HD22 ' A' ' 16' ' ' LEU . 5.0 m-20 63.7 44.12 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -94.77 -40.19 9.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 24.3 m-85 -138.7 148.89 44.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.61 132.73 50.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.58 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 11.4 m -96.59 110.6 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 9.0 t -58.22 121.43 10.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -82.27 3.79 26.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.673 HD11 ' CD2' ' A' ' 13' ' ' TYR . 30.3 mt -96.86 -47.09 5.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -123.45 -33.95 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.91 18.48 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -78.85 140.03 38.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -85.69 112.15 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.5 t -114.42 119.52 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 60.5 p -100.06 119.04 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.773 ' HB3' HG11 ' A' ' 44' ' ' VAL . 67.1 mtm180 -48.43 -71.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.54 -175.08 22.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.18 77.96 1.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.773 HG11 ' HB3' ' A' ' 40' ' ' ARG . 16.1 m -125.14 -6.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -94.14 48.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.8 m -110.06 -10.58 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.54 -48.72 0.95 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 m -90.87 99.55 12.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' ALA . 3.4 m -58.09 125.61 23.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.94 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.658 HD22 ' CG ' ' A' ' 14' ' ' PHE . 33.7 mt -55.73 -49.03 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.639 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 95.8 m95 -53.93 -50.22 66.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -46.47 -42.18 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -73.01 -41.71 63.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.52 ' CB ' HD11 ' A' ' 63' ' ' LEU . 59.1 mt -59.57 -48.69 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 30.0 mttt -76.96 -9.67 58.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -82.7 -38.97 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.2 ptp -127.67 -33.09 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.593 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.2 m-70 -96.21 26.61 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -53.43 -32.68 50.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.38 -46.91 37.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -54.19 -56.12 21.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.52 HD11 ' CB ' ' A' ' 55' ' ' LEU . 91.8 mt -49.65 -58.95 4.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.56 -39.8 71.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.67 -47.28 82.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 m -70.71 -175.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.99 44.87 3.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -107.4 81.57 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.93 115.94 5.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 51.26 42.96 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.79 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.849 0.357 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -89.79 -41.88 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.497 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -47.83 -26.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -52.41 -32.77 40.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -56.37 -20.03 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CD2' HD11 ' A' ' 33' ' ' LEU . 28.0 m-85 -104.7 18.49 22.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.689 ' CG ' HD22 ' A' ' 51' ' ' LEU . 87.4 m-85 -150.78 146.64 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.593 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -133.61 122.44 23.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.725 HD13 ' CG ' ' A' ' 26' ' ' ASN . 20.8 mt -67.01 142.96 57.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -100.37 155.59 36.21 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.5 Cg_endo -69.76 135.89 31.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.55 120.8 36.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -127.01 -32.54 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.21 -45.99 17.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.6 21.07 0.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -114.69 167.3 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -43.4 134.55 3.42 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.616 0.722 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 149.18 66.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.725 ' CG ' HD13 ' A' ' 16' ' ' LEU . 71.4 m-20 58.49 47.66 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 5.4 pt20 -84.69 -45.8 12.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 51.4 m-85 -106.66 156.09 18.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.11 136.93 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.593 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 12.2 m -101.74 109.84 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.5 t -58.16 120.53 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -79.37 -2.97 44.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.658 HD12 ' CD2' ' A' ' 55' ' ' LEU . 34.4 mt -89.71 -51.66 5.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -112.52 -40.87 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.22 29.33 4.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -103.35 139.97 38.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.416 ' H ' ' CD ' ' A' ' 37' ' ' GLN . 12.7 mp0 -73.39 130.67 40.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.0 t -132.32 110.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.458 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 85.8 p -78.38 152.83 32.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -88.69 -45.9 9.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.0 164.52 8.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 82.35 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.365 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.67 43.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.534 ' O ' HG22 ' A' ' 44' ' ' VAL . 7.9 p -111.14 33.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 46' ' ' VAL . 8.6 t-20 -116.45 -34.48 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' ASN . 92.7 t -33.76 -43.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.74 -73.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 m -59.28 87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 111.137 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.8 m -54.8 126.62 24.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.88 -38.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.689 HD22 ' CG ' ' A' ' 14' ' ' PHE . 21.7 mt -55.41 -53.41 56.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.497 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 80.2 m95 -48.34 -52.27 22.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -46.6 -41.93 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -72.15 -44.08 63.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.658 ' CD2' HD12 ' A' ' 33' ' ' LEU . 39.9 mt -59.0 -47.58 84.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.491 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 2.0 mtpm? -77.65 -9.62 59.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.7 t -82.66 -42.25 18.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.49 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.9 ptp -124.75 -35.4 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.946 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.49 ' N ' ' HG3' ' A' ' 58' ' ' MET . 44.9 m80 -92.0 22.98 3.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -51.79 -37.67 52.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -70.26 -40.02 74.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.91 -49.93 74.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 55' ' ' LEU . 70.4 mt -55.48 -53.94 50.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -50.51 -48.51 56.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -49.41 -47.05 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -84.69 32.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.98 45.7 9.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -112.74 -63.59 1.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 45.08 -110.56 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -91.27 43.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.813 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -89.42 -25.1 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -54.66 -21.82 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.434 ' CD2' HD11 ' A' ' 51' ' ' LEU . 34.4 m95 -53.25 -26.33 17.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -59.86 -20.54 57.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.453 ' CD2' HD11 ' A' ' 33' ' ' LEU . 26.2 m-85 -104.65 18.07 22.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.879 ' CG ' HD22 ' A' ' 51' ' ' LEU . 77.0 m-85 -150.79 152.92 34.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -140.92 122.08 14.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.8 mt -64.26 142.14 58.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.02 143.01 25.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 111.084 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.56 68.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.38 117.19 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -87.72 34.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.7 173.46 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.04 -42.44 87.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.437 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -39.78 134.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 10.5 t60 -43.69 140.76 2.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.634 0.73 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 54.6 Cg_endo -69.72 -27.04 27.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.52 69.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -95.93 -48.9 5.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 39' ' ' SER . 34.7 m-85 -132.28 169.05 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.66 141.02 52.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.582 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 15.6 m -102.41 110.88 22.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 4.0 t -62.02 112.03 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 15.4 mtp-105 -71.53 -4.44 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 16.9 mt -87.95 -55.67 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -109.09 -35.46 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.93 28.91 6.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -99.29 145.8 26.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -83.7 122.03 28.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 80.0 t -125.2 128.53 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.193 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.522 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 4.2 t -87.34 164.32 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.685 ' HB3' HG11 ' A' ' 44' ' ' VAL . 78.6 mtm180 -102.11 -61.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.27 174.4 45.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 117.44 5.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.71 -27.87 4.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.685 HG11 ' HB3' ' A' ' 40' ' ' ARG . 9.9 p -54.43 -22.92 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.088 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.563 ' OD1' HG12 ' A' ' 46' ' ' VAL . 1.8 p30 -54.78 -46.34 74.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.563 HG12 ' OD1' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -132.1 111.36 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.73 173.69 13.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.403 HG22 ' HG3' ' A' ' 53' ' ' LYS . 90.8 m -43.42 103.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 111.12 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.3 m -57.13 126.13 25.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.59 -31.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.879 HD22 ' CG ' ' A' ' 14' ' ' PHE . 25.6 mt -61.67 -48.61 80.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 97.3 m95 -55.37 -46.88 76.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HG3' HG22 ' A' ' 48' ' ' THR . 17.4 mtpp -55.04 -34.19 63.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -78.97 -37.7 38.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 59' ' ' HIS . 47.1 mt -64.39 -50.46 67.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 1.9 mttp -74.99 -10.74 59.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.37 -40.9 17.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.5 ptp -123.7 -35.61 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.588 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.8 m-70 -93.7 25.46 3.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 15.4 ttp-105 -50.38 -36.49 32.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -73.27 -44.84 58.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -53.76 -44.79 70.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 85.8 mt -65.23 -59.36 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -45.23 -42.51 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -66.33 -48.41 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' GLY . 68.9 m -99.45 79.96 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 34.33 -116.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 m80 41.92 41.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.95 113.12 4.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 58.03 45.8 17.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.805 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -94.24 -26.15 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.549 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -57.72 -26.03 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -53.04 -31.69 42.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.96 -17.07 8.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CB ' HD21 ' A' ' 55' ' ' LEU . 25.1 m-85 -108.95 19.41 19.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 96.6 m-85 -152.03 155.48 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.573 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -142.7 128.3 19.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.572 HD22 ' HA ' ' A' ' 26' ' ' ASN . 81.3 mt -67.86 139.87 56.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.2 150.27 39.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 148.85 65.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.57 92.81 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 13.7 mtp-105 -103.38 -45.3 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.37 78.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.63 -146.38 7.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -80.59 174.98 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 25' ' ' PRO . 2.2 p80 -50.73 153.44 2.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.819 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.433 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 53.8 Cg_endo -69.8 170.42 16.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' HA ' HD22 ' A' ' 16' ' ' LEU . 2.5 m-20 60.69 37.96 18.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 16.1 pt20 -92.64 -51.43 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 39' ' ' SER . 7.2 m-85 -118.96 153.06 35.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.59 126.17 55.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.573 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 28.2 m -91.69 109.01 20.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 22.8 t -54.66 135.04 47.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -92.15 -1.88 56.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 85.0 mt -91.59 -50.6 5.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.21 -38.55 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 26.26 5.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.431 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -87.82 141.0 28.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.31 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -83.08 110.94 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.6 t -118.87 111.9 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.524 ' HB3' ' CG ' ' A' ' 28' ' ' TYR . 53.8 p -93.01 142.2 27.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -81.29 -44.11 18.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.92 -164.02 46.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.39 29.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.254 . . . . 0.0 112.328 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.82 42.55 3.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' ASN . 12.2 p -90.78 -34.98 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' VAL . 66.4 m-80 -35.33 -38.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 48' ' ' THR . 58.2 t -41.92 109.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -36.93 -37.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' THR . 92.7 m -81.01 76.94 7.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -33.45 133.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.44 -16.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 16.2 mt -62.52 -44.27 96.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 99.5 m95 -61.83 -57.2 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 57' ' ' SER . 57.3 mttt -38.93 -38.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -77.68 -40.11 42.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.562 HD21 ' CB ' ' A' ' 13' ' ' TYR . 34.5 mt -63.72 -49.85 71.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -75.48 -8.99 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 8.7 t -85.21 -41.77 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 2.5 ptp -123.41 -31.4 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.9 m-70 -98.27 27.36 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -56.81 -35.0 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -73.2 -34.86 66.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.96 -45.6 77.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 55' ' ' LEU . 46.4 mt -63.34 -57.84 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 65' ' ' LYS . 25.6 pt-20 -50.51 -46.05 56.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 11.5 tppt? -52.85 -51.38 61.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m -71.05 -176.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.83 44.38 3.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.65 40.78 1.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.12 -55.31 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -39.91 -43.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.924 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.81 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.1 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.53 -39.37 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -52.92 -31.64 41.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -53.54 -29.93 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -57.03 -17.9 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CD1' HD11 ' A' ' 33' ' ' LEU . 31.0 m-85 -107.42 18.49 21.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 73.0 m-85 -151.7 150.72 30.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.579 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -137.85 126.97 24.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.37 144.1 57.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.67 144.11 29.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 111.085 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 156.74 62.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.65 2.233 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.02 100.61 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.036 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -75.96 -46.85 27.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.71 174.97 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.23 -133.02 13.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -82.91 158.47 22.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -57.5 156.85 15.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.54 0.686 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -176.75 1.58 Allowed 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.677 2.252 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.522 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 13.8 t30 63.03 42.31 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -114.15 -43.23 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.528 ' CE1' ' HB2' ' A' ' 39' ' ' SER . 16.1 m-85 -116.28 148.25 40.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' ' 14' ' ' PHE . . . -114.96 128.72 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.093 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.579 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 7.0 m -89.66 113.51 25.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.9 t -61.01 122.54 15.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -80.52 -5.09 56.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.505 HD13 ' CG ' ' A' ' 59' ' ' HIS . 41.6 mt -87.57 -54.36 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.32 -43.2 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.7 30.76 3.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -104.53 163.2 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -92.7 126.24 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -134.31 97.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.528 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 33.6 t -68.74 164.78 20.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.581 ' HD2' HG21 ' A' ' 44' ' ' VAL . 41.9 mtm180 -96.04 -52.07 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.77 170.95 32.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.519 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 2.46 3.49 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.89 77.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.599 ' O ' HG22 ' A' ' 44' ' ' VAL . 13.0 p -117.99 38.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -129.54 42.45 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 46' ' ' VAL . 11.7 t -102.45 40.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.59 -51.78 3.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.5 HG22 ' HB2' ' A' ' 52' ' ' TRP . 80.8 m -101.0 104.47 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.119 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.7 m -48.11 126.39 10.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.517 ' H ' HG23 ' A' ' 44' ' ' VAL . . . -37.15 -28.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' THR . 21.3 mt -62.41 -49.14 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.701 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 96.3 m95 -45.9 -53.71 9.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.38 -43.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -67.95 -46.11 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' HIS . 63.0 mt -56.77 -49.9 73.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 8.0 mttp -75.04 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -82.8 -41.0 19.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.7 ptp -126.5 -34.09 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.505 ' CG ' HD13 ' A' ' 33' ' ' LEU . 39.2 m80 -93.46 21.12 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -47.19 -41.02 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -71.54 -45.58 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.32 -47.42 62.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 71.4 mt -59.91 -64.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -46.7 -55.33 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -49.17 -46.53 45.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 t -63.32 -46.73 85.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.94 48.06 0.5 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.8 46.51 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.823 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.09 -63.35 4.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -80.42 46.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.825 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.908 0.385 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.04 -27.83 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.689 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -56.86 -33.29 66.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.413 ' CD2' HD11 ' A' ' 51' ' ' LEU . 24.2 m95 -52.75 -30.1 30.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.04 -21.53 31.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' HB2' HD21 ' A' ' 55' ' ' LEU . 25.0 m-85 -104.4 18.96 21.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.631 ' CG ' HD22 ' A' ' 51' ' ' LEU . 90.2 m-85 -154.04 151.54 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.575 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -141.66 126.22 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.65 144.71 49.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.5 143.52 26.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.562 0.696 . . . . 0.0 111.158 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 152.41 69.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.11 115.6 20.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 1.3 mpp_? -106.8 101.57 11.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.56 42.38 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.07 -98.34 1.92 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -130.34 -59.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.8 t-80 -174.72 140.88 0.7 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 54.1 Cg_endo -69.75 2.85 3.16 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -123.9 70.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -124.39 -53.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 55.8 m-85 -124.74 150.05 46.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.55 131.39 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.07 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.575 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 23.8 m -93.07 112.87 24.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 t -60.51 127.61 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -87.21 -2.66 58.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.558 HD13 ' CG ' ' A' ' 59' ' ' HIS . 31.1 mt -89.25 -51.22 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -112.27 -41.7 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.62 30.73 3.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -103.98 145.67 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -80.88 125.42 30.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.24 120.34 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.549 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 65.9 p -91.5 144.98 25.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.7 mtp85 -78.07 -71.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.46 -172.56 15.38 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.4 Cg_endo -69.82 166.78 26.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . 35.34 77.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.94 177.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 65.44 43.9 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.559 ' O ' HG22 ' A' ' 46' ' ' VAL . 8.5 p -119.97 29.08 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.55 -117.01 3.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.3 m -55.36 98.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.6 m -60.2 127.49 32.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.49 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.631 HD22 ' CG ' ' A' ' 14' ' ' PHE . 24.8 mt -60.42 -54.83 40.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.689 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 92.1 m95 -46.47 -54.71 8.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -40.47 -44.5 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -69.0 -45.0 71.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 52' ' ' TRP . 37.4 mt -58.12 -41.04 82.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -84.63 -8.55 58.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -82.74 -44.82 15.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.497 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.8 ptp -122.87 -38.52 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.558 ' CG ' HD13 ' A' ' 33' ' ' LEU . 42.4 m80 -86.85 21.67 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -54.58 -32.17 58.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -72.33 -42.58 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.84 -37.82 88.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 55' ' ' LEU . 78.9 mt -67.65 -57.64 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -48.34 -52.39 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -48.08 -44.05 31.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.2 m -95.15 172.65 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.25 50.28 3.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -126.14 -43.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -43.3 -43.18 5.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -87.76 42.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.861 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -81.45 86.01 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -91.35 -45.77 8.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.78 -125.73 4.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -49.32 163.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -127.2 138.36 53.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.92 40.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -85.21 29.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 68' ' ' HIS . 17.5 tt0 -72.85 -30.41 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -54.91 -31.36 60.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.427 ' CD2' HD11 ' A' ' 51' ' ' LEU . 46.2 m95 -53.8 -27.46 29.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -58.87 -15.31 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 42.0 m-85 -109.41 18.19 20.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 48.4 m-85 -150.65 152.12 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.574 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -135.2 130.91 36.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -76.71 135.72 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.531 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -92.86 158.94 36.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.8 Cg_endo -69.69 153.53 69.14 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.379 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . -61.98 -50.81 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 20' ' ' ARG . 6.3 ppt_? 32.71 38.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -171.82 175.69 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 -43.73 97.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -67.08 131.23 45.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.42 ' ND1' ' O ' ' A' ' 25' ' ' PRO . 2.3 p80 -50.42 154.78 2.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.42 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 53.6 Cg_endo -69.75 175.61 7.87 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 66.58 39.87 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 28' ' ' TYR . 2.7 pm0 -94.61 -36.11 11.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 25.1 m-85 -130.77 164.2 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.25 128.94 46.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.574 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 17.5 m -93.75 115.32 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.9 120.72 13.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -80.82 -0.47 38.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 23.5 mt -90.98 -52.44 4.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.3 p -112.93 -37.62 4.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.5 28.93 4.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -104.98 141.59 36.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -76.55 136.37 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.8 t -134.07 96.14 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 85.5 p -67.64 162.86 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.496 ' C ' HG21 ' A' ' 44' ' ' VAL . 20.4 mtm105 -120.45 -70.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 88.3 -170.23 38.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 151.58 69.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.29 70.64 0.71 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.496 HG21 ' C ' ' A' ' 40' ' ' ARG . 83.9 t -122.39 -41.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -71.17 73.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.96 37.75 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -70.59 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.6 m -88.19 82.41 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.6 m -37.78 125.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.96 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.5 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 23.7 mt -58.38 -55.89 29.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 93.3 m95 -38.73 -52.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -45.9 -43.62 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -71.68 -37.66 70.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 59' ' ' HIS . 68.0 mt -64.07 -42.72 96.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 14.0 mttm -83.91 -9.08 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t -81.35 -42.09 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -124.68 -38.63 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 88.1 m-70 -89.3 23.3 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -40.05 57.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.92 -38.91 83.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.19 -49.54 77.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 76.6 mt -59.17 -54.94 41.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -55.82 -47.28 77.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -58.44 -53.63 56.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.5 p -60.68 172.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.89 52.25 3.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.601 ' CE1' ' OE2' ' A' ' 9' ' ' GLU . 35.5 m80 -128.52 88.54 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.36 -84.9 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -109.95 145.37 37.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.2 t -116.15 42.25 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.62 84.5 0.1 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -45.33 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.37 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.6 p -119.28 42.97 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.0 t -147.07 144.19 28.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.504 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -56.62 145.44 28.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -144.58 129.97 18.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.58 87.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -117.57 146.27 43.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 7' ' ' GLY . 23.1 t -71.97 135.4 46.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' NE1' ' A' ' 52' ' ' TRP . . . 37.97 57.21 1.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.496 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.2 p -114.76 33.77 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.644 ' OE2' ' CD2' ' A' ' 68' ' ' HIS . 8.2 pt-20 -90.73 -15.02 30.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.963 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -60.35 -14.06 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.492 ' CZ3' HD11 ' A' ' 51' ' ' LEU . 53.2 m95 -61.24 -25.28 66.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.53 -12.88 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.4 m-85 -113.57 18.19 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.778 ' CD2' HD22 ' A' ' 51' ' ' LEU . 66.6 m-85 -149.92 152.02 34.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.575 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -140.77 129.18 22.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.497 HD13 ' OD1' ' A' ' 26' ' ' ASN . 59.2 mt -69.66 141.8 53.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.37 141.83 24.04 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.567 0.699 . . . . 0.0 111.121 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' ARG . 54.1 Cg_endo -69.75 153.91 68.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.747 ' HB2' ' HD3' ' A' ' 25' ' ' PRO . . . -59.91 76.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -111.64 -30.64 7.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.03 -50.82 15.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.22 -97.76 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -40.69 150.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -39.51 155.27 0.16 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.721 . . . . 0.0 110.821 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.747 ' HD3' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.74 -172.68 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.232 . . . . 0.0 112.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.497 ' OD1' HD13 ' A' ' 16' ' ' LEU . 30.4 m-80 62.2 43.77 8.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -114.23 -40.73 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 14.4 m-85 -128.23 152.59 47.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.57 130.75 56.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.575 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 25.9 m -94.01 109.27 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.0 t -60.55 117.14 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -78.37 1.61 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.467 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 14.8 mt -92.93 -52.31 4.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.15 -32.63 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.2 24.24 7.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -88.2 142.95 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.14 118.44 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.2 t -122.87 118.43 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 53.5 p -103.94 114.03 27.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.562 ' O ' HG23 ' A' ' 44' ' ' VAL . 9.1 ptm180 -65.39 -45.54 83.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.8 -173.58 7.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -11.76 31.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.25 23.08 8.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 40' ' ' ARG . 95.1 t -134.96 126.98 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.849 0.357 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' VAL . 7.7 m120 -139.26 166.46 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' ASN . 81.5 t -36.08 124.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.83 -79.98 0.21 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.8 m -133.24 88.68 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -44.09 124.52 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB2' HG21 ' A' ' 44' ' ' VAL . . . -37.25 -32.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 14' ' ' PHE . 24.0 mt -60.49 -47.45 86.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.963 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 95.3 m95 -48.86 -47.59 42.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -52.52 -36.54 55.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -76.13 -35.43 59.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' HIS . 84.4 mt -67.47 -50.16 60.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -76.52 -9.08 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.8 t -84.06 -38.75 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.3 ptp -128.66 -32.77 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' LEU . 96.0 m-70 -94.92 25.04 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -58.0 -30.84 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -79.01 -38.57 36.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -61.59 -56.28 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -45.11 -54.49 6.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -48.03 -48.1 33.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -48.25 -54.59 13.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -68.4 177.2 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.74 45.98 3.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.644 ' CD2' ' OE2' ' A' ' 9' ' ' GLU . 28.0 m170 -117.9 114.05 22.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.74 -46.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -88.8 39.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 98.0 p -53.41 111.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.18 -176.36 16.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 84.58 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 t -40.35 -60.4 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -56.04 -51.24 68.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.446 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -102.07 88.53 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.381 . . . . 0.0 110.802 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -120.01 151.99 38.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.11 105.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.443 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -122.63 90.43 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -100.88 42.42 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 133.8 -102.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.9 p 38.76 30.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' GLY . 6.4 tp10 -92.24 -33.41 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.63 -27.35 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CH2' ' HD2' ' A' ' 40' ' ' ARG . 25.7 m95 -53.23 -29.03 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -58.14 -19.17 30.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.2 m-85 -106.18 18.61 21.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CD2' HD22 ' A' ' 51' ' ' LEU . 25.5 m-85 -150.01 156.55 41.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.587 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.04 123.54 13.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.507 HD13 ' OD1' ' A' ' 26' ' ' ASN . 84.7 mt -59.32 150.87 24.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.74 144.83 30.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.02 36.95 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.85 137.88 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -111.43 72.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 40.49 41.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.92 -110.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -58.26 169.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -74.69 156.45 86.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -6.33 18.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.507 ' OD1' HD13 ' A' ' 16' ' ' LEU . 33.4 m-80 -107.01 48.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.452 ' O ' ' NH2' ' A' ' 40' ' ' ARG . 5.0 tp60 -93.08 -60.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 19.7 m-85 -123.13 165.18 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -118.11 123.49 45.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.587 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 39.7 m -87.13 111.46 20.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.4 t -62.43 117.76 6.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -76.62 -3.85 39.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.598 HD12 ' CD2' ' A' ' 55' ' ' LEU . 23.4 mt -88.73 -54.91 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.46 -39.8 5.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.32 28.72 4.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -106.04 144.07 33.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -82.95 130.54 35.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.0 t -136.09 111.7 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.557 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 66.4 p -86.23 134.95 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.687 ' HG3' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -117.94 -31.6 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.438 ' O ' ' NH1' ' A' ' 40' ' ' ARG . . . 141.77 161.13 8.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.78 15.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.51 87.8 0.39 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.687 HG11 ' HG3' ' A' ' 40' ' ' ARG . 2.1 p -120.76 117.68 53.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -123.8 -66.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.79 174.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.63 173.53 41.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.8 m -71.85 79.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.622 HG23 HG21 ' A' ' 44' ' ' VAL . 2.9 m -40.53 123.39 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . . . -35.45 -39.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 14' ' ' PHE . 29.9 mt -50.63 -48.12 58.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.536 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 82.9 m95 -52.87 -50.01 64.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -49.63 -40.43 39.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -72.02 -43.0 65.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.598 ' CD2' HD12 ' A' ' 33' ' ' LEU . 33.9 mt -61.01 -49.35 77.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 2.4 mtpm? -75.23 -9.5 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 t -84.61 -42.07 15.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.7 ptp -123.33 -33.11 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 95.4 m-70 -95.56 26.3 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.791 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -54.44 -35.36 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.81 -41.75 64.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.31 -43.66 98.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 77.2 mt -63.05 -58.93 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -51.97 -45.63 64.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -49.53 -50.55 41.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 m -68.51 -57.54 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.96 43.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -126.39 92.7 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -126.38 -57.29 0.15 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -84.81 35.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -72.31 125.72 28.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.57 141.23 10.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -44.73 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -129.44 94.55 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.1 p -102.56 42.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.489 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -107.25 87.17 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 p -167.64 146.44 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.49 101.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 t -83.06 -59.81 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 7' ' ' GLY . 44.6 t 54.34 49.22 18.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.97 71.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.9 p -85.35 -17.04 37.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -46.72 -35.89 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.478 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.02 -37.49 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -52.93 -30.61 35.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -57.29 -20.28 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.626 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 25.1 m-85 -105.12 17.95 23.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 17.0 m-85 -151.79 159.45 43.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.573 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.66 127.21 16.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.452 HD13 ' OD1' ' A' ' 26' ' ' ASN . 89.7 mt -59.34 138.14 57.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.9 138.74 24.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 134.62 28.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . -87.15 -67.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.0 ptm180 33.87 38.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -126.23 -62.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.98 -39.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.22 157.42 22.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -55.51 152.78 16.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.88 17.85 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.734 2.289 . . . . 0.0 112.329 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.452 ' OD1' HD13 ' A' ' 16' ' ' LEU . 63.7 m-20 62.7 40.11 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -70.56 -72.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 39' ' ' SER . 3.0 m-85 -115.92 165.87 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -111.62 148.11 34.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.573 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 7.8 m -110.88 111.54 22.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -59.09 116.29 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -76.99 -2.83 35.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.623 HD12 ' CD2' ' A' ' 55' ' ' LEU . 19.3 mt -90.3 -54.34 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.2 p -108.17 -40.14 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.66 25.36 5.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -97.23 154.37 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 8.1 mp0 -84.78 128.16 34.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 67.5 t -134.44 110.12 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 8.8 t -81.84 154.32 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -52.49 -43.19 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 48.39 -175.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 157.14 61.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.55 61.51 7.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.77 -37.12 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' VAL . 6.6 p30 -84.97 -37.41 20.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 47' ' ' GLY . 7.4 p -35.05 -45.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.491 ' N ' HG13 ' A' ' 46' ' ' VAL . . . 169.94 -56.25 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.1 m -81.24 91.09 6.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 111.155 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' TRP . 4.3 m -47.76 127.33 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.31 -37.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.592 HD22 ' CD2' ' A' ' 14' ' ' PHE . 20.5 mt -56.65 -47.6 79.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.478 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 86.8 m95 -48.4 -45.55 36.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 57' ' ' SER . 24.0 mttp -54.26 -35.3 62.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -78.95 -43.21 25.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.623 ' CD2' HD12 ' A' ' 33' ' ' LEU . 36.1 mt -60.79 -47.57 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -76.82 -9.46 58.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 12.3 t -83.78 -40.94 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.8 ptp -125.72 -34.12 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.8 m-70 -93.65 25.44 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -55.31 -35.24 64.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.64 -39.91 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.72 -50.83 71.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 55' ' ' LEU . 66.7 mt -54.53 -60.46 3.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -52.56 -42.64 64.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -55.18 -42.68 73.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -85.2 36.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.12 74.02 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -128.06 -46.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.11 -100.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.422 ' CD ' ' H ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -79.54 134.55 36.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.7 p -86.33 -38.17 17.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -141.7 150.65 22.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -5.3 15.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.4 m -75.99 127.12 32.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 m -63.27 -47.53 82.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.506 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.81 43.32 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -75.86 -52.61 9.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.64 82.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -128.78 101.08 5.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -104.51 80.4 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 38.53 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.4 p -101.16 -11.14 19.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.805 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -47.95 -34.85 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -50.57 -35.27 29.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -52.94 -31.76 42.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -56.85 -16.99 7.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.586 ' CD2' HD11 ' A' ' 33' ' ' LEU . 28.9 m-85 -108.69 19.22 19.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 79.3 m-85 -151.7 152.24 32.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.589 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -137.62 129.24 28.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.576 HD22 ' OD1' ' A' ' 26' ' ' ASN . 97.8 mt -64.83 141.17 58.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.89 144.9 28.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.728 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 155.7 65.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.41 97.36 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -110.33 -52.06 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.06 -55.54 11.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.95 -30.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' HIS . 36.8 m80 -78.18 153.13 32.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.815 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -37.63 155.59 0.1 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.644 0.735 . . . . 0.0 110.838 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 169.56 18.7 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.576 ' OD1' HD22 ' A' ' 16' ' ' LEU . 18.7 t-20 74.57 33.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -64.82 -72.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 3.1 m-85 -120.25 161.64 20.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -101.77 128.62 48.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.589 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 9.2 m -94.99 110.82 22.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.5 t -57.91 130.61 47.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -89.01 1.12 56.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 55' ' ' LEU . 54.1 mt -94.29 -47.2 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.5 p -121.85 -37.25 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.03 27.77 5.24 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -88.3 138.55 31.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -78.61 116.64 19.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 58.8 t -131.02 125.1 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 47.5 p -94.94 165.08 12.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -122.54 -47.76 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.98 -166.42 53.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 178.98 4.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.282 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.21 69.38 0.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.588 HG22 ' N ' ' A' ' 45' ' ' ASN . 14.6 p -131.56 164.78 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.588 ' N ' HG22 ' A' ' 44' ' ' VAL . 11.7 t-20 72.55 39.82 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.2 t -104.88 -41.06 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.25 -76.03 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' THR . 57.6 m -115.46 85.83 2.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.873 0.368 . . . . 0.0 111.157 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.8 m -37.75 128.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.48 -33.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 24.0 mt -57.38 -50.36 73.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.563 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 90.0 m95 -48.36 -52.29 22.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -43.45 -42.33 4.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.83 -47.88 57.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.625 ' CD2' HD12 ' A' ' 33' ' ' LEU . 25.9 mt -56.5 -45.01 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -78.98 -9.15 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.3 t -84.15 -37.88 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.1 ptp -128.82 -34.98 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.588 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.0 m-70 -93.12 24.99 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -54.85 -35.0 63.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 43.7 mt-10 -74.19 -39.47 63.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.65 -44.83 96.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 55' ' ' LEU . 76.5 mt -63.05 -58.1 8.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -52.85 -43.05 65.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 10.4 mmmt -52.63 -53.25 49.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.9 m -74.98 159.15 32.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' SER . . . -34.5 -42.81 0.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -55.42 100.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' GLN . . . -120.0 130.95 8.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' GLY . 28.2 pt20 34.91 42.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.4 m -47.16 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.82 -148.04 16.9 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.21 27.46 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.4 p -86.4 142.96 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 t -81.79 120.0 24.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.212 -0.771 . . . . 0.0 112.521 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.9 p -134.67 155.9 49.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -44.18 168.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 127.76 -39.67 1.88 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 4' ' ' GLY . 31.1 t -35.86 136.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.824 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 p -93.37 164.54 13.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.84 -85.92 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p 38.12 37.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -98.99 -31.43 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -52.65 -25.3 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -52.87 -32.0 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -56.98 -19.07 16.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.652 ' CD2' HD11 ' A' ' 33' ' ' LEU . 52.9 m-85 -104.5 17.33 24.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.493 ' CG ' HD22 ' A' ' 51' ' ' LEU . 96.8 m-85 -150.22 156.74 42.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.578 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -142.26 130.74 22.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -68.23 144.68 54.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.0 152.68 43.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.556 0.693 . . . . 0.0 111.135 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 135.16 29.6 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.92 144.67 34.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -96.73 -53.17 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.84 172.93 12.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 23' ' ' HIS . . . -41.08 -37.95 1.62 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.545 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' GLY . 18.0 m170 -37.18 109.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 154.93 1.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.13 2.92 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.372 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.54 40.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -84.62 -70.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.547 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 46.6 m-85 -126.54 146.92 49.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.46 125.93 51.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.578 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 29.6 m -90.58 111.04 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 10.2 t -60.64 127.31 31.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -86.59 0.73 53.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.652 HD11 ' CD2' ' A' ' 13' ' ' TYR . 61.5 mt -93.27 -49.28 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.23 -38.46 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.69 31.64 3.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -103.19 139.66 38.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 14.9 mp0 -77.85 127.98 33.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.566 HG12 ' NH2' ' A' ' 40' ' ' ARG . 62.2 t -135.41 118.43 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.547 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 34.4 p -84.97 165.57 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.706 ' HB3' HG11 ' A' ' 44' ' ' VAL . 12.3 mmp_? -84.87 -47.05 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.29 176.59 41.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.525 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 104.62 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.264 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.83 73.24 1.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 40' ' ' ARG . 2.8 p -116.61 -7.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -101.31 -32.18 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -37.1 -32.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' THR . . . -178.85 -136.26 2.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' GLY . 22.6 m -33.9 105.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 111.154 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.8 m -58.93 126.31 27.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.497 ' H ' HG23 ' A' ' 44' ' ' VAL . . . -34.86 -33.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.493 HD22 ' CG ' ' A' ' 14' ' ' PHE . 15.0 mt -56.62 -49.26 75.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.503 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 96.6 m95 -53.9 -53.46 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -40.05 -42.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -72.35 -45.03 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' HIS . 57.4 mt -57.93 -45.18 86.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -79.03 -9.51 59.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 t -83.01 -38.68 22.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.4 ptp -129.13 -36.31 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.591 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.0 m-70 -90.31 18.58 5.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.75 -36.59 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -76.69 -40.29 49.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' OE1' HD22 ' A' ' 33' ' ' LEU . 5.1 tt0 -57.44 -46.58 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 75.9 mt -58.79 -53.06 62.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -44.23 -47.33 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -56.74 -45.4 82.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.2 m -64.64 -56.85 11.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.17 43.45 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -121.77 82.6 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.95 -53.33 34.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -130.5 -51.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t 69.68 42.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.14 -116.71 0.94 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.19 18.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -103.85 -59.22 1.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.4 m -79.9 84.12 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.493 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -171.64 126.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 p -63.35 91.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.47 126.06 29.86 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -77.05 164.98 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -99.76 146.83 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.08 54.67 2.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 p -86.37 35.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.4 -37.49 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.601 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.95 -30.63 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -53.49 -29.27 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -58.02 -18.99 27.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.599 ' CD2' HD11 ' A' ' 33' ' ' LEU . 49.9 m-85 -105.61 18.29 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 35.9 m-85 -151.09 159.33 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.87 127.94 17.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.93 145.01 56.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -91.94 158.89 39.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 111.062 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.5 Cg_endo -69.8 144.68 54.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.29 167.09 13.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 10.6 ptm180 -103.03 150.73 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -33.93 106.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.63 -73.2 0.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -83.44 141.9 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -77.67 158.41 78.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.473 ' HA ' HE22 ' A' ' 27' ' ' GLN . 54.1 Cg_endo -69.74 3.79 2.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -96.31 44.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.473 HE22 ' HA ' ' A' ' 25' ' ' PRO . 2.6 pm0 -98.6 -34.69 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 68.0 m-85 -155.65 161.75 40.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.61 135.28 53.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.582 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 10.6 m -102.05 111.47 23.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.05 126.02 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -84.15 1.28 45.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 13' ' ' TYR . 94.7 mt -94.07 -50.99 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.59 -36.35 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.66 25.05 6.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -90.39 136.37 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -79.23 123.97 27.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.1 t -126.31 110.63 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.58 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 92.3 p -87.11 138.99 31.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.688 ' O ' HG21 ' A' ' 44' ' ' VAL . 10.8 ptm180 -110.23 -41.42 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 40' ' ' ARG . . . 112.42 164.02 16.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -50.33 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.75 84.47 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.688 HG21 ' O ' ' A' ' 40' ' ' ARG . 92.0 t -126.79 101.48 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -119.22 81.86 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -130.98 172.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.88 -37.54 15.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.2 m -102.95 97.36 7.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.4 m -51.12 128.5 21.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.52 -34.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 14' ' ' PHE . 17.7 mt -58.55 -53.13 61.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.601 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 87.6 m95 -40.04 -52.32 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.91 -42.88 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -69.71 -41.24 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.52 ' HB3' HD21 ' A' ' 63' ' ' LEU . 44.4 mt -62.33 -47.3 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -76.83 -9.47 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.0 t -82.98 -42.41 17.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.8 ptp -124.31 -34.15 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.9 m-70 -93.97 24.94 3.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -53.08 -33.08 50.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -76.12 -45.8 32.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.21 -51.71 65.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 55' ' ' LEU . 84.4 mt -52.0 -63.2 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -45.98 -45.33 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -52.17 -46.14 65.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.9 m -88.75 16.78 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.07 68.37 1.72 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -124.24 82.18 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -131.66 -39.38 0.24 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -41.16 -28.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.1 p -80.03 60.33 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -165.25 61.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 103.53 1.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.36 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.9 m -162.01 159.95 27.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.2 t -56.83 108.26 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -63.55 86.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -94.99 152.36 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.95 -40.96 0.61 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -74.28 81.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -125.78 162.91 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.8 62.4 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -98.05 39.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -85.78 -32.83 21.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.646 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.8 -25.44 7.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.546 ' CD2' HD11 ' A' ' 51' ' ' LEU . 33.2 m95 -52.55 -28.33 20.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -56.67 -22.74 36.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' CD1' HD11 ' A' ' 33' ' ' LEU . 37.9 m-85 -101.66 16.8 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.663 ' CG ' HD22 ' A' ' 51' ' ' LEU . 93.3 m-85 -146.58 157.33 43.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.593 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.12 125.14 14.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.9 mt -63.22 152.64 36.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.77 148.27 36.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.533 0.683 . . . . 0.0 111.131 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 157.86 59.02 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.16 120.52 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -92.31 -47.82 6.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.73 150.38 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.86 -56.4 0.49 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.52 157.52 37.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 153.24 62.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 3.2 2.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -101.25 31.67 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -67.98 -70.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 39' ' ' SER . 3.5 m-85 -125.64 166.4 16.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.45 128.47 56.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.593 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 20.8 m -92.44 114.63 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 6.6 t -64.07 116.25 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.98 -4.71 45.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 17.0 mt -86.95 -54.55 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.34 -41.2 5.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.01 29.32 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -99.77 158.61 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -90.63 123.89 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -135.51 121.35 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.559 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 7.5 t -106.01 130.44 53.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mtp-105 -59.92 -64.86 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.51 163.61 11.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -1.56 8.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -178.5 69.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.5 t -92.44 119.8 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -53.87 159.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.2 t -79.15 85.92 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.79 -113.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.7 m -70.84 76.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 111.135 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.7 m -45.99 125.7 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.1 -37.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.663 HD22 ' CG ' ' A' ' 14' ' ' PHE . 24.0 mt -52.25 -55.01 24.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.646 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 88.3 m95 -48.63 -52.8 21.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -46.69 -43.37 17.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -69.96 -36.98 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' A' ' 63' ' ' LEU . 65.5 mt -65.66 -46.36 79.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -77.16 -9.56 58.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -84.28 -43.43 14.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.4 ptp -122.09 -36.39 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.3 m-70 -90.97 23.48 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -52.67 -38.05 59.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -70.53 -40.88 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.7 -45.56 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' A' ' 55' ' ' LEU . 66.7 mt -64.19 -54.52 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.15 -44.03 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.91 -44.21 85.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.2 m -64.0 174.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' HIS . . . -68.02 -42.1 85.76 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' GLY . 33.1 m-70 -35.58 149.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.85 -38.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.82 76.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 72' ' ' GLY . 17.5 t -124.46 78.93 1.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 71' ' ' SER . . . 34.37 62.72 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 166.67 26.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.7 p -156.47 148.48 23.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.3 t -104.28 84.29 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.54 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -105.35 146.92 28.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -67.94 81.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.82 159.12 32.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -109.69 84.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' GLY . 16.6 t -162.36 112.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.67 -100.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.5 p 42.83 27.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -91.07 -35.08 14.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -49.32 -29.82 6.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -52.76 -30.31 32.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -56.82 -21.6 30.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.8 m-85 -103.77 18.18 22.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD2' HD22 ' A' ' 51' ' ' LEU . 50.8 m-85 -150.94 156.87 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.585 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -137.42 129.81 29.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.8 mt -71.27 146.81 48.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -91.94 155.39 43.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.561 0.696 . . . . 0.0 111.111 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.9 Cg_endo -69.74 141.41 45.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.87 113.66 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -109.66 -48.3 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.71 37.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' HIS . . . 75.07 -62.69 2.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' GLY . 4.3 m-70 -35.74 137.09 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.97 154.14 0.22 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -2.56 10.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -88.81 42.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -80.31 -74.91 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 39' ' ' SER . 3.4 m-85 -118.45 173.91 6.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.23 124.24 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.585 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 29.8 m -88.93 118.03 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.44 119.66 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -80.71 0.19 35.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 20.7 mt -92.02 -51.26 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.7 p -114.09 -37.65 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.37 26.6 5.35 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.431 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -98.45 142.99 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.462 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 16.1 mp0 -81.57 127.74 33.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.8 t -134.14 111.82 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 57.0 p -95.64 147.3 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.8 mtm-85 -93.23 -54.65 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.45 179.74 20.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.5 68.47 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.3 p -46.99 135.31 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -70.32 148.55 48.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.6 t -79.41 89.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.71 -114.13 0.45 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.0 m -79.93 83.19 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.866 0.365 . . . . 0.0 111.149 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.42 127.1 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.27 -37.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.518 HD22 ' CD2' ' A' ' 14' ' ' PHE . 23.0 mt -54.62 -49.73 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.576 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 82.3 m95 -48.2 -48.07 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -50.89 -38.63 50.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -74.45 -42.37 59.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 59' ' ' HIS . 37.8 mt -61.25 -50.05 74.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -74.24 -9.37 58.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 t -83.44 -41.32 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.6 ptp -126.08 -33.96 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.588 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 91.4 m-70 -95.07 26.34 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.4 ttm105 -54.94 -32.83 61.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -76.13 -44.58 37.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.08 -47.86 74.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.5 mt -54.93 -57.79 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -46.67 -48.87 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -52.15 -36.01 50.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -85.41 32.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.93 50.13 27.62 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -114.53 106.01 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.796 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.27 136.46 7.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 62.37 35.89 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.6 m -83.24 36.98 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.55 132.23 1.42 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.62 16.64 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.6 p -88.16 45.95 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.3 t -106.18 41.03 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.478 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 m -104.87 109.01 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.868 0.365 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -96.22 -47.11 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.54 -165.78 51.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -69.21 148.95 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.842 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -143.3 167.02 23.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.74 84.49 0.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.9 p -94.07 22.36 5.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -69.92 -36.23 75.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.494 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -49.36 -36.33 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -54.01 -29.22 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.86 -8.68 5.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 31.6 m-85 -117.42 18.85 14.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.641 ' CD2' HD22 ' A' ' 51' ' ' LEU . 35.9 m-85 -152.29 155.89 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.58 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -142.29 127.1 18.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.62 141.51 58.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.65 142.87 26.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 146.73 61.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.36 157.92 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 10.3 ptp85 -112.12 -44.89 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 20' ' ' ARG . . . -80.86 176.32 9.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.6 -36.92 2.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -44.42 121.07 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -48.28 157.5 0.67 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.0 3.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.313 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -109.45 79.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -104.8 -71.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 2.8 m-85 -121.72 168.39 11.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.69 122.43 46.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.58 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 43.1 m -88.01 111.53 21.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.38 120.51 10.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -82.72 -0.2 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 16.5 mt -93.51 -49.4 5.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -112.53 -37.87 4.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.6 26.14 6.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -101.1 145.5 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -86.99 127.85 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.5 t -133.23 122.95 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.545 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 34.8 p -79.32 153.79 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.8 ' HD2' HG21 ' A' ' 44' ' ' VAL . 65.5 mtm-85 -74.31 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.98 170.09 43.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 97.85 0.66 Allowed 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.36 47.66 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.916 HG13 ' OD1' ' A' ' 45' ' ' ASN . 8.2 p -103.55 164.52 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 111.102 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.916 ' OD1' HG13 ' A' ' 44' ' ' VAL . 2.4 p-10 45.97 43.03 10.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 44' ' ' VAL . 74.6 t -125.19 -40.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.56 -56.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' THR . 26.1 m -131.33 85.96 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 111.195 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -37.88 125.32 1.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HA ' ' CE ' ' A' ' 53' ' ' LYS . . . -39.63 -32.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.641 HD22 ' CD2' ' A' ' 14' ' ' PHE . 16.4 mt -63.07 -43.55 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.494 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 70.9 m95 -50.93 -41.18 58.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -60.52 -28.88 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -86.43 -34.03 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.583 ' CD2' HD12 ' A' ' 33' ' ' LEU . 50.3 mt -69.16 -47.53 64.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -77.55 -9.89 59.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -86.13 -39.69 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 2.8 ptp -122.86 -36.13 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.6 m-70 -94.64 26.1 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -52.81 -38.1 60.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -70.0 -43.13 72.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.6 -30.93 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 55' ' ' LEU . 81.3 mt -77.35 -60.79 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -53.42 -52.01 60.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 66' ' ' SER . 9.7 pttp -45.22 -31.62 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 6.3 t -89.44 -53.88 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.58 32.47 0.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -116.48 36.76 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.92 -59.44 4.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -99.14 74.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t -87.1 -49.31 7.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.81 168.73 32.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 146.99 62.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.7 m -110.52 114.51 27.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.9 m -96.51 90.02 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.49 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -122.22 -53.37 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -74.05 157.69 35.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.2 138.72 6.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -96.53 75.93 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.823 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 m 60.0 43.82 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.03 -105.45 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m 39.71 35.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -91.92 -25.21 19.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.648 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -58.04 -20.97 43.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -51.05 -28.26 9.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.667 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 15.4 pt-20 -54.89 -27.07 39.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.667 ' CE1' ' CG ' ' A' ' 12' ' ' GLU . 26.6 m-85 -99.7 19.08 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 85.6 m-85 -148.1 157.69 43.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.585 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -141.52 129.23 21.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 26' ' ' ASN . 35.5 mt -64.83 146.37 54.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.86 136.62 26.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.1 66.75 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.649 2.232 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.62 96.17 10.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.056 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -69.56 70.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 38.19 43.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.82 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -58.75 112.25 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 56.8 t-80 -42.51 140.71 1.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 53.3 Cg_endo -69.8 178.42 4.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.453 ' HA ' HD22 ' A' ' 16' ' ' LEU . 5.1 m120 49.48 37.65 12.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -91.25 -70.98 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 3.1 m-85 -115.97 162.47 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.4 140.18 48.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.585 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 21.2 m -103.44 117.1 33.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.9 t -63.74 121.87 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.482 ' NE ' ' HB3' ' A' ' 15' ' ' HIS . 81.5 mtt-85 -81.72 -3.91 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.639 HD11 ' CD2' ' A' ' 13' ' ' TYR . 54.4 mt -89.77 -53.93 4.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -106.33 -42.46 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.29 25.97 5.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -94.44 173.75 7.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -108.93 126.59 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.0 t -135.23 111.75 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 54.2 p -89.59 153.46 20.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.422 ' HB2' HG11 ' A' ' 44' ' ' VAL . 9.6 ptm180 -110.79 -46.66 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 40' ' ' ARG . . . 115.64 168.29 15.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -0.35 6.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.582 ' O ' HG12 ' A' ' 44' ' ' VAL . . . -141.9 -69.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 43' ' ' GLY . 7.2 p 44.55 31.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -82.65 79.54 9.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.499 HG23 ' N ' ' A' ' 47' ' ' GLY . 35.6 m -127.69 -45.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.499 ' N ' HG23 ' A' ' 46' ' ' VAL . . . 149.7 -67.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' THR . 42.2 m -82.4 86.55 6.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 3.0 m -36.5 129.55 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.47 -36.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 20.7 mt -56.89 -54.58 44.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.648 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 86.4 m95 -46.72 -53.99 10.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -45.79 -44.07 13.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -68.08 -43.81 77.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.589 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 49.8 mt -60.59 -47.57 85.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -75.9 -9.72 58.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.6 t -84.28 -39.68 18.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.3 ptp -126.97 -34.75 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' A' ' 55' ' ' LEU . 96.3 m-70 -92.87 20.19 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -47.88 -36.87 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.69 -47.04 56.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -56.05 -32.26 63.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.431 HD11 ' CB ' ' A' ' 55' ' ' LEU . 70.3 mt -76.42 -55.17 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.69 -51.96 65.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 66' ' ' SER . 41.1 pttt -47.64 -32.22 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.1 t -90.07 -69.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.96 35.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -121.19 39.63 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.69 -57.19 2.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.539 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -88.19 81.53 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.1 p -104.13 -44.54 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.41 126.5 19.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -47.5 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.7 t -78.68 151.01 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 m -123.3 86.93 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.082 -0.844 . . . . 0.0 112.509 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p 42.56 42.13 2.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -74.9 110.98 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.4 -120.8 0.42 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -105.29 42.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 p -109.08 91.2 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.15 -27.89 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.5 p -83.73 35.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -82.55 -38.71 23.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.33 -33.36 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CD2' HD11 ' A' ' 51' ' ' LEU . 32.7 m95 -52.81 -32.5 44.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.03 -14.61 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CD2' HD11 ' A' ' 33' ' ' LEU . 36.8 m-85 -110.15 19.09 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 51' ' ' LEU . 98.1 m-85 -149.36 154.15 38.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.586 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -138.51 129.99 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.45 148.78 47.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.96 143.94 28.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.56 67.68 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.96 140.0 52.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -129.08 -55.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.65 -44.66 47.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.88 89.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' HIS . 13.3 p80 -174.59 124.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.581 ' CD2' ' HD2' ' A' ' 25' ' ' PRO . 1.8 t-80 -38.15 139.61 0.63 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.525 0.678 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.581 ' HD2' ' CD2' ' A' ' 24' ' ' HIS . 54.2 Cg_endo -69.74 2.98 3.03 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.414 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -100.66 38.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -81.97 -60.75 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 9.8 m-85 -139.38 153.96 47.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.62 130.34 56.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.586 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 27.8 m -94.53 116.78 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 8.6 t -63.73 126.07 26.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -86.85 -0.9 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 13' ' ' TYR . 31.1 mt -91.86 -48.1 6.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.6 p -118.84 -39.55 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 37' ' ' GLN . . . 111.6 23.17 5.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -89.52 142.57 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.763 0.316 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 6.0 mp0 -85.1 122.82 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.32 116.12 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 90.1 p -100.94 161.81 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' HB3' HG21 ' A' ' 44' ' ' VAL . 40.7 mtp85 -97.81 -48.86 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.3 -177.21 23.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.76 145.19 56.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . 34.04 87.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.406 HG21 ' HB3' ' A' ' 40' ' ' ARG . 95.6 t -120.37 143.57 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.104 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -175.06 116.24 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.727 HG22 ' H ' ' A' ' 48' ' ' THR . 5.7 p -168.15 137.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.77 -33.27 4.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.727 ' H ' HG22 ' A' ' 46' ' ' VAL . 91.8 m -96.31 90.36 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 111.14 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 51' ' ' LEU . 15.1 m -44.85 124.72 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.94 -33.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 23.9 mt -57.74 -56.89 16.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -38.6 -54.76 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HE3' ' CG2' ' A' ' 48' ' ' THR . 1.4 mptm? -39.85 -46.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -69.65 -45.72 67.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 59' ' ' HIS . 71.6 mt -56.48 -47.37 79.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 18.4 mttm -78.12 -9.34 59.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 40.9 t -81.98 -41.61 20.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.2 ptp -127.1 -33.99 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.487 ' C ' ' O ' ' A' ' 55' ' ' LEU . 85.8 m-70 -92.94 24.39 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' CZ ' ' OE2' ' A' ' 64' ' ' GLU . 72.3 ttt-85 -53.05 -39.09 62.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -69.91 -38.82 76.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.68 -40.82 93.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.497 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 74.1 mt -69.47 -54.41 14.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' OE2' ' CZ ' ' A' ' 60' ' ' ARG . 24.3 mt-10 -53.41 -41.01 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 1.4 tmmm? -74.23 -55.03 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.6 p -44.41 -42.37 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.69 54.29 2.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.63 45.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.87 -179.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -78.75 64.38 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.936 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -81.85 44.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 164.01 140.8 2.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.1 22.68 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -42.23 142.37 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -162.1 173.51 14.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.467 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 m -98.94 92.13 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 m -159.82 115.2 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.71 -117.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -123.15 175.42 6.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.1 t -150.0 127.28 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.85 45.9 40.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -85.57 37.37 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -80.01 -33.86 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.61 -30.03 12.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CD2' HD11 ' A' ' 51' ' ' LEU . 41.3 m95 -53.35 -29.97 36.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.82 -11.63 3.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CD2' HD11 ' A' ' 33' ' ' LEU . 44.9 m-85 -112.93 18.45 18.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 88.9 m-85 -150.59 156.19 40.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.577 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.03 127.8 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.734 HD22 ' HA ' ' A' ' 26' ' ' ASN . 47.2 mt -72.39 134.12 45.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.95 152.02 42.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 150.32 68.23 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.56 92.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -106.71 118.88 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 44.4 43.0 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.91 -166.85 20.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -70.4 173.05 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.409 ' ND1' ' C ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -41.41 157.6 0.2 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.54 0.686 . . . . 0.0 110.916 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -171.68 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.649 2.232 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.734 ' HA ' HD22 ' A' ' 16' ' ' LEU . 2.4 m120 59.46 40.57 20.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -109.22 -40.31 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 37.3 m-85 -124.28 143.18 50.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.55 122.92 47.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.577 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 21.7 m -90.27 110.99 22.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 7.4 t -61.71 122.71 16.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -83.05 1.06 42.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.544 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 29.8 mt -93.4 -50.48 5.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -112.8 -37.48 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.15 29.29 4.91 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -104.71 146.15 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -86.51 131.21 34.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.65 98.92 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 69.5 p -58.81 114.85 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' CD ' HG11 ' A' ' 44' ' ' VAL . 12.7 ttp-105 -54.39 -60.62 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.33 -162.75 13.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' VAL . 53.7 Cg_endo -69.78 -163.72 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . -34.2 93.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 44' ' ' VAL . 10.0 p -102.51 37.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 111.113 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -89.5 73.24 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -134.77 147.97 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.3 -33.71 2.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.8 m -103.74 84.74 2.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 111.171 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.9 m -50.68 129.93 23.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.16 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 11' ' ' TRP . 16.0 mt -62.72 -54.94 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -40.82 -54.64 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -39.41 -43.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -73.14 -44.39 60.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.673 ' CB ' HD11 ' A' ' 63' ' ' LEU . 66.3 mt -59.08 -34.16 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -92.31 -8.84 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -83.11 -37.5 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.502 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -128.7 -39.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.0 m-70 -88.83 22.42 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -49.14 -39.49 28.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -71.66 -41.17 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -56.79 -51.12 70.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.673 HD11 ' CB ' ' A' ' 55' ' ' LEU . 89.7 mt -59.66 -62.27 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -39.21 -47.74 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -50.17 -53.13 29.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -75.75 -175.54 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.29 46.18 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -126.63 39.21 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.7 7.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -131.61 131.85 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -125.21 41.24 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 73' ' ' PRO . . . 158.3 109.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 72' ' ' GLY . 53.9 Cg_endo -69.74 101.09 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -169.66 112.44 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -52.83 111.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.478 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -91.53 42.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -49.98 -44.68 50.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.82 -151.69 7.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.523 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -112.58 41.5 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t 63.68 41.12 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.37 38.47 1.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.0 p -87.76 37.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.8 -48.51 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.52 ' HB1' ' CD1' ' A' ' 55' ' ' LEU . . . -48.14 -27.22 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -53.05 -32.34 46.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.99 -16.84 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.468 ' HB2' HD21 ' A' ' 55' ' ' LEU . 32.0 m-85 -108.19 18.58 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CG ' HD22 ' A' ' 51' ' ' LEU . 98.1 m-85 -152.28 155.54 37.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.579 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -144.15 128.59 17.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 26' ' ' ASN . 72.7 mt -69.01 141.3 54.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.3 151.9 37.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.101 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 141.63 45.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HB2' ' CA ' ' A' ' 25' ' ' PRO . . . -78.46 96.47 5.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.063 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -107.39 -44.06 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.63 -53.16 25.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.92 -72.3 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.51 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -46.95 146.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.33 158.31 0.77 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.457 ' CA ' ' HB2' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.72 -168.06 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.528 ' HA ' HD22 ' A' ' 16' ' ' LEU . 2.8 m120 59.04 41.35 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -106.14 -44.37 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 34.3 m-85 -129.05 150.03 50.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.46 126.34 55.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.579 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 30.6 m -87.58 112.38 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.456 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 9.8 t -64.09 128.49 36.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -84.75 -7.08 59.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.587 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.1 mt -84.43 -55.88 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -105.55 -43.54 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.74 31.76 2.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -110.45 143.89 40.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -82.43 127.77 33.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -126.02 103.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 20.6 p -73.71 142.67 46.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -51.38 -60.6 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.48 -178.82 16.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -46.15 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.14 52.57 0.6 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.744 HG21 ' HB2' ' A' ' 50' ' ' ALA . 14.4 p -54.64 143.59 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.172 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -75.7 122.89 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.67 -51.14 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.11 -72.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -86.86 86.54 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.15 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.4 m -45.19 126.28 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.744 ' HB2' HG21 ' A' ' 44' ' ' VAL . . . -35.41 -36.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.053 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.572 HD22 ' CG ' ' A' ' 14' ' ' PHE . 25.6 mt -55.69 -53.58 54.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 93.5 m95 -46.26 -53.48 10.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -40.07 -43.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -74.38 -41.06 61.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.522 ' HB3' HD21 ' A' ' 63' ' ' LEU . 56.8 mt -60.96 -33.6 73.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -92.3 -8.55 44.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -82.82 -41.58 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.502 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -125.24 -37.45 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.587 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 89.7 m-70 -90.42 24.23 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -54.66 -34.33 62.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -76.34 -40.86 50.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.13 -42.15 94.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 55' ' ' LEU . 76.5 mt -59.94 -58.91 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.46 -43.11 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -53.82 -49.08 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.22 35.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' HIS . . . 58.12 -92.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' GLY . 28.2 m-70 34.55 39.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.91 -51.81 42.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -98.15 78.1 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.946 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.0 p -97.26 41.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.96 172.71 22.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.28 19.0 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 t -133.74 120.72 20.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 t -81.88 44.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.48 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -117.31 -59.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -77.51 172.99 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.4 58.86 3.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -119.61 94.07 4.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -78.23 53.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.05 49.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 p -80.86 42.44 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -92.62 -34.49 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.639 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -54.05 -26.98 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -53.85 -26.37 24.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -59.82 -20.1 54.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.673 ' CD2' HD11 ' A' ' 33' ' ' LEU . 36.9 m-85 -107.25 19.22 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.658 ' CG ' HD22 ' A' ' 51' ' ' LEU . 95.4 m-85 -150.98 157.43 42.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.58 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.91 128.76 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 26' ' ' ASN . 57.5 mt -69.08 137.41 53.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.93 143.97 28.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.07 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 160.77 48.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.25 111.85 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.2 -18.02 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.84 -48.89 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.62 -53.14 0.44 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' HIS . 2.0 t-80 -48.94 137.93 12.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' HIS . 2.2 p-80 -36.47 155.16 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.707 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 174.21 9.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.462 ' HA ' HD22 ' A' ' 16' ' ' LEU . 5.0 m-20 63.7 44.12 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -94.77 -40.19 9.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 24.3 m-85 -138.7 148.89 44.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.61 132.73 50.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.58 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 11.4 m -96.59 110.6 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 9.0 t -58.22 121.43 10.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -82.27 3.79 26.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.673 HD11 ' CD2' ' A' ' 13' ' ' TYR . 30.3 mt -96.86 -47.09 5.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -123.45 -33.95 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.91 18.48 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -78.85 140.03 38.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -85.69 112.15 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.5 t -114.42 119.52 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 60.5 p -100.06 119.04 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.773 ' HB3' HG11 ' A' ' 44' ' ' VAL . 67.1 mtm180 -48.43 -71.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.54 -175.08 22.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.18 77.96 1.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.773 HG11 ' HB3' ' A' ' 40' ' ' ARG . 16.1 m -125.14 -6.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -94.14 48.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.8 m -110.06 -10.58 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.54 -48.72 0.95 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 m -90.87 99.55 12.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' ALA . 3.4 m -58.09 125.61 23.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.94 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.658 HD22 ' CG ' ' A' ' 14' ' ' PHE . 33.7 mt -55.73 -49.03 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.639 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 95.8 m95 -53.93 -50.22 66.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -46.47 -42.18 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -73.01 -41.71 63.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.52 ' CB ' HD11 ' A' ' 63' ' ' LEU . 59.1 mt -59.57 -48.69 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 30.0 mttt -76.96 -9.67 58.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -82.7 -38.97 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.2 ptp -127.67 -33.09 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.593 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.2 m-70 -96.21 26.61 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -53.43 -32.68 50.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.38 -46.91 37.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -54.19 -56.12 21.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.52 HD11 ' CB ' ' A' ' 55' ' ' LEU . 91.8 mt -49.65 -58.95 4.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.56 -39.8 71.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.67 -47.28 82.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 m -70.71 -175.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.99 44.87 3.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -107.4 81.57 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.93 115.94 5.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 51.26 42.96 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.3 t -51.36 106.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.24 71.35 1.32 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -42.19 3.67 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.396 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.6 p -83.66 45.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 m -131.96 -47.99 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.53 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -65.42 176.28 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -98.0 140.73 31.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.07 -71.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.5 p -40.78 129.56 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.819 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -107.23 41.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.39 54.55 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 p -94.33 39.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.825 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -89.79 -41.88 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.497 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -47.83 -26.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -52.41 -32.77 40.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -56.37 -20.03 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CD2' HD11 ' A' ' 33' ' ' LEU . 28.0 m-85 -104.7 18.49 22.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.689 ' CG ' HD22 ' A' ' 51' ' ' LEU . 87.4 m-85 -150.78 146.64 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.593 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -133.61 122.44 23.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.725 HD13 ' CG ' ' A' ' 26' ' ' ASN . 20.8 mt -67.01 142.96 57.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -100.37 155.59 36.21 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.5 Cg_endo -69.76 135.89 31.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.55 120.8 36.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -127.01 -32.54 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.21 -45.99 17.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.6 21.07 0.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -114.69 167.3 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -43.4 134.55 3.42 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.616 0.722 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 149.18 66.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.725 ' CG ' HD13 ' A' ' 16' ' ' LEU . 71.4 m-20 58.49 47.66 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 5.4 pt20 -84.69 -45.8 12.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 51.4 m-85 -106.66 156.09 18.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.11 136.93 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.593 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 12.2 m -101.74 109.84 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.5 t -58.16 120.53 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -79.37 -2.97 44.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.658 HD12 ' CD2' ' A' ' 55' ' ' LEU . 34.4 mt -89.71 -51.66 5.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -112.52 -40.87 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.22 29.33 4.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -103.35 139.97 38.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.416 ' H ' ' CD ' ' A' ' 37' ' ' GLN . 12.7 mp0 -73.39 130.67 40.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.0 t -132.32 110.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.458 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 85.8 p -78.38 152.83 32.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -88.69 -45.9 9.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.0 164.52 8.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 82.35 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.365 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.67 43.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.534 ' O ' HG22 ' A' ' 44' ' ' VAL . 7.9 p -111.14 33.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 46' ' ' VAL . 8.6 t-20 -116.45 -34.48 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' ASN . 92.7 t -33.76 -43.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.74 -73.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 m -59.28 87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 111.137 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.8 m -54.8 126.62 24.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.88 -38.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.689 HD22 ' CG ' ' A' ' 14' ' ' PHE . 21.7 mt -55.41 -53.41 56.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.497 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 80.2 m95 -48.34 -52.27 22.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -46.6 -41.93 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -72.15 -44.08 63.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.658 ' CD2' HD12 ' A' ' 33' ' ' LEU . 39.9 mt -59.0 -47.58 84.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.491 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 2.0 mtpm? -77.65 -9.62 59.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.7 t -82.66 -42.25 18.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.49 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.9 ptp -124.75 -35.4 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.946 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.3 m-70 -92.0 22.98 3.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -51.79 -37.67 52.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -70.26 -40.02 74.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.91 -49.93 74.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 55' ' ' LEU . 70.4 mt -55.48 -53.94 50.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -50.51 -48.51 56.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -49.41 -47.05 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -84.69 32.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.98 45.7 9.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -112.74 -63.59 1.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 45.08 -110.56 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -91.27 43.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.3 m -39.0 102.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.67 -156.0 25.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.33 24.75 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -54.26 149.8 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.4 p -66.08 116.86 7.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.471 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -72.32 127.41 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 4' ' ' GLY . 33.9 t -126.64 117.25 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.05 150.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.512 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 m -141.16 131.0 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 t -125.73 125.88 43.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . -154.9 -83.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.1 t 35.29 32.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 7' ' ' GLY . 21.6 tt0 -89.42 -25.1 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -54.66 -21.82 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.434 ' CD2' HD11 ' A' ' 51' ' ' LEU . 34.4 m95 -53.25 -26.33 17.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -59.86 -20.54 57.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.453 ' CD2' HD11 ' A' ' 33' ' ' LEU . 26.2 m-85 -104.65 18.07 22.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.879 ' CG ' HD22 ' A' ' 51' ' ' LEU . 77.0 m-85 -150.79 152.92 34.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -140.92 122.08 14.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.8 mt -64.26 142.14 58.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.02 143.01 25.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 111.084 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.56 68.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.38 117.19 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -87.72 34.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.7 173.46 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.04 -42.44 87.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.437 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -39.78 134.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 10.5 t60 -43.69 140.76 2.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.634 0.73 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 54.6 Cg_endo -69.72 -27.04 27.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.52 69.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -95.93 -48.9 5.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 39' ' ' SER . 34.7 m-85 -132.28 169.05 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.66 141.02 52.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.582 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 15.6 m -102.41 110.88 22.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 4.0 t -62.02 112.03 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 15.4 mtp-105 -71.53 -4.44 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 16.9 mt -87.95 -55.67 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -109.09 -35.46 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.93 28.91 6.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -99.29 145.8 26.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -83.7 122.03 28.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 80.0 t -125.2 128.53 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.193 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.522 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 4.2 t -87.34 164.32 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.685 ' HB3' HG11 ' A' ' 44' ' ' VAL . 78.6 mtm180 -102.11 -61.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.27 174.4 45.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 117.44 5.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.71 -27.87 4.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.685 HG11 ' HB3' ' A' ' 40' ' ' ARG . 9.9 p -54.43 -22.92 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.088 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.563 ' OD1' HG12 ' A' ' 46' ' ' VAL . 1.8 p30 -54.78 -46.34 74.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.563 HG12 ' OD1' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -132.1 111.36 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.73 173.69 13.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.403 HG22 ' HG3' ' A' ' 53' ' ' LYS . 90.8 m -43.42 103.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 111.12 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.3 m -57.13 126.13 25.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.59 -31.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.879 HD22 ' CG ' ' A' ' 14' ' ' PHE . 25.6 mt -61.67 -48.61 80.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 97.3 m95 -55.37 -46.88 76.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HG3' HG22 ' A' ' 48' ' ' THR . 17.4 mtpp -55.04 -34.19 63.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -78.97 -37.7 38.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 59' ' ' HIS . 47.1 mt -64.39 -50.46 67.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 1.9 mttp -74.99 -10.74 59.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.37 -40.9 17.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.5 ptp -123.7 -35.61 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.588 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.8 m-70 -93.7 25.46 3.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 15.4 ttp-105 -50.38 -36.49 32.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -73.27 -44.84 58.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -53.76 -44.79 70.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 85.8 mt -65.23 -59.36 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -45.23 -42.51 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -66.33 -48.41 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' GLY . 68.9 m -99.45 79.96 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 34.33 -116.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 m80 41.92 41.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.95 113.12 4.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 58.03 45.8 17.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t -84.88 -44.35 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.74 -66.28 2.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -5.93 17.36 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.9 m 49.83 41.03 21.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 76' ' ' GLY . 22.8 t 37.94 44.74 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 75' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -93.66 108.43 20.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -160.75 156.48 25.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.6 155.97 21.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -38.57 137.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -138.16 159.85 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.74 79.58 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.7 m -88.37 42.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -94.24 -26.15 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.549 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -57.72 -26.03 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -53.04 -31.69 42.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.96 -17.07 8.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CB ' HD21 ' A' ' 55' ' ' LEU . 25.1 m-85 -108.95 19.41 19.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 96.6 m-85 -152.03 155.48 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.573 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -142.7 128.3 19.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.572 HD22 ' HA ' ' A' ' 26' ' ' ASN . 81.3 mt -67.86 139.87 56.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.2 150.27 39.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 148.85 65.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.57 92.81 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 13.7 mtp-105 -103.38 -45.3 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.37 78.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.63 -146.38 7.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -80.59 174.98 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 25' ' ' PRO . 2.2 p80 -50.73 153.44 2.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.819 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.433 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 53.8 Cg_endo -69.8 170.42 16.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' HA ' HD22 ' A' ' 16' ' ' LEU . 2.5 m-20 60.69 37.96 18.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 16.1 pt20 -92.64 -51.43 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 39' ' ' SER . 7.2 m-85 -118.96 153.06 35.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.59 126.17 55.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.573 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 28.2 m -91.69 109.01 20.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 22.8 t -54.66 135.04 47.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -92.15 -1.88 56.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 85.0 mt -91.59 -50.6 5.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.21 -38.55 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 26.26 5.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.431 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -87.82 141.0 28.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.31 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -83.08 110.94 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.6 t -118.87 111.9 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.524 ' HB3' ' CG ' ' A' ' 28' ' ' TYR . 53.8 p -93.01 142.2 27.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -81.29 -44.11 18.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.92 -164.02 46.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.39 29.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.254 . . . . 0.0 112.328 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.82 42.55 3.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' ASN . 12.2 p -90.78 -34.98 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' VAL . 66.4 m-80 -35.33 -38.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 48' ' ' THR . 58.2 t -41.92 109.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -36.93 -37.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' THR . 92.7 m -81.01 76.94 7.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -33.45 133.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.44 -16.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 16.2 mt -62.52 -44.27 96.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 99.5 m95 -61.83 -57.2 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 57' ' ' SER . 57.3 mttt -38.93 -38.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -77.68 -40.11 42.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD21 ' CB ' ' A' ' 13' ' ' TYR . 34.5 mt -63.72 -49.85 71.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -75.48 -8.99 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 8.7 t -85.21 -41.77 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 2.5 ptp -123.41 -31.4 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.9 m-70 -98.27 27.36 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -56.81 -35.0 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -73.2 -34.86 66.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.96 -45.6 77.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 55' ' ' LEU . 46.4 mt -63.34 -57.84 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 65' ' ' LYS . 25.6 pt-20 -50.51 -46.05 56.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 11.5 tppt? -52.85 -51.38 61.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m -71.05 -176.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.83 44.38 3.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.65 40.78 1.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.12 -55.31 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -39.91 -43.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.924 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.1 t -80.42 134.16 35.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 43.16 63.89 1.91 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.88 30.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.343 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 75' ' ' SER . 49.7 m -130.95 -60.61 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' SER . 5.6 m -36.48 138.08 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.508 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 m -69.33 116.07 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -67.68 165.94 16.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.95 -45.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.536 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -101.25 46.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.2 p -72.4 -19.42 61.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.61 45.25 1.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.1 p -85.36 28.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.53 -39.37 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -52.92 -31.64 41.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -53.54 -29.93 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -57.03 -17.9 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CD1' HD11 ' A' ' 33' ' ' LEU . 31.0 m-85 -107.42 18.49 21.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 73.0 m-85 -151.7 150.72 30.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.579 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -137.85 126.97 24.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.37 144.1 57.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.67 144.11 29.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 111.085 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 156.74 62.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.65 2.233 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.02 100.61 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.036 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -75.96 -46.85 27.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.71 174.97 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.23 -133.02 13.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -82.91 158.47 22.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -57.5 156.85 15.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.54 0.686 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -176.75 1.58 Allowed 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.677 2.252 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.522 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 13.8 t30 63.03 42.31 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -114.15 -43.23 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.528 ' CE1' ' HB2' ' A' ' 39' ' ' SER . 16.1 m-85 -116.28 148.25 40.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' ' 14' ' ' PHE . . . -114.96 128.72 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.093 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.579 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 7.0 m -89.66 113.51 25.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.9 t -61.01 122.54 15.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -80.52 -5.09 56.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.593 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 41.6 mt -87.57 -54.36 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.32 -43.2 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.7 30.76 3.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -104.53 163.2 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -92.7 126.24 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -134.31 97.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.528 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 33.6 t -68.74 164.78 20.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.581 ' HD2' HG21 ' A' ' 44' ' ' VAL . 41.9 mtm180 -96.04 -52.07 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.77 170.95 32.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.519 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 2.46 3.49 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.89 77.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.599 ' O ' HG22 ' A' ' 44' ' ' VAL . 13.0 p -117.99 38.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -129.54 42.45 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 46' ' ' VAL . 11.7 t -102.45 40.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.59 -51.78 3.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.5 HG22 ' HB2' ' A' ' 52' ' ' TRP . 80.8 m -101.0 104.47 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.119 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.7 m -48.11 126.39 10.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.517 ' H ' HG23 ' A' ' 44' ' ' VAL . . . -37.15 -28.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' THR . 21.3 mt -62.41 -49.14 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.701 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 96.3 m95 -45.9 -53.71 9.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.38 -43.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -67.95 -46.11 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' HIS . 63.0 mt -56.77 -49.9 73.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 8.0 mttp -75.04 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -82.8 -41.0 19.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.7 ptp -126.5 -34.09 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.593 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 92.7 m-70 -93.46 21.12 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -47.19 -41.02 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -71.54 -45.58 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.32 -47.42 62.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 71.4 mt -59.91 -64.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -46.7 -55.33 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -49.17 -46.53 45.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 t -63.32 -46.73 85.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.94 48.06 0.5 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.8 46.51 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.823 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.09 -63.35 4.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -80.42 46.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.4 m -106.63 -40.19 5.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.415 ' HA2' ' HD2' ' A' ' 73' ' ' PRO . . . -147.42 97.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.415 ' HD2' ' HA2' ' A' ' 72' ' ' GLY . 54.2 Cg_endo -69.69 -176.67 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -116.12 170.21 8.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 76' ' ' GLY . 1.1 t -118.23 157.69 26.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.816 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 75' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 50.92 42.92 28.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p 38.42 41.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.45 143.25 6.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.452 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -108.59 141.6 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -112.26 -179.47 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.51 32.74 82.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p -101.5 -9.55 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.899 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.04 -27.83 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.689 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -56.86 -33.29 66.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.413 ' CD2' HD11 ' A' ' 51' ' ' LEU . 24.2 m95 -52.75 -30.1 30.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.04 -21.53 31.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' HB2' HD21 ' A' ' 55' ' ' LEU . 25.0 m-85 -104.4 18.96 21.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.631 ' CG ' HD22 ' A' ' 51' ' ' LEU . 90.2 m-85 -154.04 151.54 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.575 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -141.66 126.22 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.65 144.71 49.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.5 143.52 26.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.562 0.696 . . . . 0.0 111.158 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 152.41 69.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.11 115.6 20.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 1.3 mpp_? -106.8 101.57 11.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.56 42.38 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.07 -98.34 1.92 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -130.34 -59.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.8 t-80 -174.72 140.88 0.7 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 54.1 Cg_endo -69.75 2.85 3.16 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -123.9 70.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -124.39 -53.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 55.8 m-85 -124.74 150.05 46.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.55 131.39 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.07 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.575 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 23.8 m -93.07 112.87 24.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 t -60.51 127.61 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -87.21 -2.66 58.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 31.1 mt -89.25 -51.22 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -112.27 -41.7 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.62 30.73 3.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -103.98 145.67 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -80.88 125.42 30.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.24 120.34 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.549 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 65.9 p -91.5 144.98 25.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.7 mtp85 -78.07 -71.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.46 -172.56 15.38 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.4 Cg_endo -69.82 166.78 26.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . 35.34 77.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.94 177.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 65.44 43.9 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.559 ' O ' HG22 ' A' ' 46' ' ' VAL . 8.5 p -119.97 29.08 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.55 -117.01 3.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.3 m -55.36 98.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.6 m -60.2 127.49 32.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.49 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.631 HD22 ' CG ' ' A' ' 14' ' ' PHE . 24.8 mt -60.42 -54.83 40.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.689 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 92.1 m95 -46.47 -54.71 8.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -40.47 -44.5 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -69.0 -45.0 71.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 52' ' ' TRP . 37.4 mt -58.12 -41.04 82.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -84.63 -8.55 58.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -82.74 -44.82 15.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.497 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.8 ptp -122.87 -38.52 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.596 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.1 m-70 -86.85 21.67 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -54.58 -32.17 58.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -72.33 -42.58 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.84 -37.82 88.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 55' ' ' LEU . 78.9 mt -67.65 -57.64 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -48.34 -52.39 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -48.08 -44.05 31.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.2 m -95.15 172.65 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.25 50.28 3.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -126.14 -43.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -43.3 -43.18 5.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -87.76 42.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.9 m -104.95 87.17 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 168.6 128.07 0.97 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.75 23.41 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.3 p -128.76 129.87 46.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -152.72 105.88 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.51 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.585 ' OE2' ' CE1' ' A' ' 68' ' ' HIS . 17.5 tt0 -72.85 -30.41 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.523 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -54.91 -31.36 60.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.427 ' CD2' HD11 ' A' ' 51' ' ' LEU . 46.2 m95 -53.8 -27.46 29.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -58.87 -15.31 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 42.0 m-85 -109.41 18.19 20.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 48.4 m-85 -150.65 152.12 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.574 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -135.2 130.91 36.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -76.71 135.72 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.531 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -92.86 158.94 36.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.8 Cg_endo -69.69 153.53 69.14 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.379 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . -61.98 -50.81 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 20' ' ' ARG . 6.3 ppt_? 32.71 38.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -171.82 175.69 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 -43.73 97.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -67.08 131.23 45.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.42 ' ND1' ' O ' ' A' ' 25' ' ' PRO . 2.3 p80 -50.42 154.78 2.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.42 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 53.6 Cg_endo -69.75 175.61 7.87 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 66.58 39.87 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 28' ' ' TYR . 2.7 pm0 -94.61 -36.11 11.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 25.1 m-85 -130.77 164.2 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.25 128.94 46.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.574 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 17.5 m -93.75 115.32 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.9 120.72 13.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -80.82 -0.47 38.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 23.5 mt -90.98 -52.44 4.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.3 p -112.93 -37.62 4.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.5 28.93 4.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -104.98 141.59 36.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -76.55 136.37 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.8 t -134.07 96.14 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 85.5 p -67.64 162.86 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.496 ' C ' HG21 ' A' ' 44' ' ' VAL . 20.4 mtm105 -120.45 -70.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 88.3 -170.23 38.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 151.58 69.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.29 70.64 0.71 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.496 HG21 ' C ' ' A' ' 40' ' ' ARG . 83.9 t -122.39 -41.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -71.17 73.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.96 37.75 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -70.59 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.6 m -88.19 82.41 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.6 m -37.78 125.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.96 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.5 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 23.7 mt -58.38 -55.89 29.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 93.3 m95 -38.73 -52.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -45.9 -43.62 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -71.68 -37.66 70.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 59' ' ' HIS . 68.0 mt -64.07 -42.72 96.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 14.0 mttm -83.91 -9.08 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t -81.35 -42.09 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -124.68 -38.63 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 88.1 m-70 -89.3 23.3 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -40.05 57.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.92 -38.91 83.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.19 -49.54 77.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 76.6 mt -59.17 -54.94 41.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -55.82 -47.28 77.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -58.44 -53.63 56.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.5 p -60.68 172.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.89 52.25 3.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.585 ' CE1' ' OE2' ' A' ' 9' ' ' GLU . 67.3 m-70 -128.52 88.54 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.36 -84.9 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -109.95 145.37 37.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.778 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' A' ' 68' ' ' HIS . 8.2 pt-20 -90.73 -15.02 30.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.963 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -60.35 -14.06 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.492 ' CZ3' HD11 ' A' ' 51' ' ' LEU . 53.2 m95 -61.24 -25.28 66.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.53 -12.88 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.4 m-85 -113.57 18.19 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.778 ' CD2' HD22 ' A' ' 51' ' ' LEU . 66.6 m-85 -149.92 152.02 34.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.575 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -140.77 129.18 22.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.497 HD13 ' OD1' ' A' ' 26' ' ' ASN . 59.2 mt -69.66 141.8 53.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.37 141.83 24.04 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.567 0.699 . . . . 0.0 111.121 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' ARG . 54.1 Cg_endo -69.75 153.91 68.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.747 ' HB2' ' HD3' ' A' ' 25' ' ' PRO . . . -59.91 76.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -111.64 -30.64 7.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.03 -50.82 15.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.22 -97.76 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -40.69 150.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -39.51 155.27 0.16 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.721 . . . . 0.0 110.821 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.747 ' HD3' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.74 -172.68 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.232 . . . . 0.0 112.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.497 ' OD1' HD13 ' A' ' 16' ' ' LEU . 30.4 m-80 62.2 43.77 8.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -114.23 -40.73 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 14.4 m-85 -128.23 152.59 47.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.57 130.75 56.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.575 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 25.9 m -94.01 109.27 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.0 t -60.55 117.14 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -78.37 1.61 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.467 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 14.8 mt -92.93 -52.31 4.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.15 -32.63 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.2 24.24 7.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -88.2 142.95 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.14 118.44 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.2 t -122.87 118.43 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 53.5 p -103.94 114.03 27.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.562 ' O ' HG23 ' A' ' 44' ' ' VAL . 9.1 ptm180 -65.39 -45.54 83.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.8 -173.58 7.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -11.76 31.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.25 23.08 8.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 40' ' ' ARG . 95.1 t -134.96 126.98 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.849 0.357 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' VAL . 7.7 m120 -139.26 166.46 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' ASN . 81.5 t -36.08 124.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.83 -79.98 0.21 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.8 m -133.24 88.68 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -44.09 124.52 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB2' HG21 ' A' ' 44' ' ' VAL . . . -37.25 -32.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 14' ' ' PHE . 24.0 mt -60.49 -47.45 86.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.963 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 95.3 m95 -48.86 -47.59 42.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -52.52 -36.54 55.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -76.13 -35.43 59.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' HIS . 84.4 mt -67.47 -50.16 60.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -76.52 -9.08 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.8 t -84.06 -38.75 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.3 ptp -128.66 -32.77 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' LEU . 96.0 m-70 -94.92 25.04 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -58.0 -30.84 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -79.01 -38.57 36.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -61.59 -56.28 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -45.11 -54.49 6.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -48.03 -48.1 33.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -48.25 -54.59 13.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -68.4 177.2 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.74 45.98 3.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.457 ' CE1' ' OE1' ' A' ' 9' ' ' GLU . 33.1 m-70 -117.9 114.05 22.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.74 -46.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -88.8 39.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 98.0 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.794 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -92.24 -33.41 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.63 -27.35 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CH2' ' HD2' ' A' ' 40' ' ' ARG . 25.7 m95 -53.23 -29.03 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -58.14 -19.17 30.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.555 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.2 m-85 -106.18 18.61 21.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CD2' HD22 ' A' ' 51' ' ' LEU . 25.5 m-85 -150.01 156.55 41.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.587 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.04 123.54 13.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.507 HD13 ' OD1' ' A' ' 26' ' ' ASN . 84.7 mt -59.32 150.87 24.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.74 144.83 30.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.02 36.95 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.85 137.88 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -111.43 72.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 40.49 41.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.92 -110.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -58.26 169.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -74.69 156.45 86.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -6.33 18.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.507 ' OD1' HD13 ' A' ' 16' ' ' LEU . 33.4 m-80 -107.01 48.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.452 ' O ' ' NH2' ' A' ' 40' ' ' ARG . 5.0 tp60 -93.08 -60.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 19.7 m-85 -123.13 165.18 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -118.11 123.49 45.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.587 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 39.7 m -87.13 111.46 20.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.4 t -62.43 117.76 6.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -76.62 -3.85 39.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.598 HD12 ' CD2' ' A' ' 55' ' ' LEU . 23.4 mt -88.73 -54.91 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.46 -39.8 5.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.32 28.72 4.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -106.04 144.07 33.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -82.95 130.54 35.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.0 t -136.09 111.7 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.557 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 66.4 p -86.23 134.95 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.687 ' HG3' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -117.94 -31.6 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.438 ' O ' ' NH1' ' A' ' 40' ' ' ARG . . . 141.77 161.13 8.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.78 15.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.51 87.8 0.39 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.687 HG11 ' HG3' ' A' ' 40' ' ' ARG . 2.1 p -120.76 117.68 53.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -123.8 -66.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.79 174.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.63 173.53 41.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.8 m -71.85 79.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.622 HG23 HG21 ' A' ' 44' ' ' VAL . 2.9 m -40.53 123.39 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . . . -35.45 -39.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 14' ' ' PHE . 29.9 mt -50.63 -48.12 58.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.536 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 82.9 m95 -52.87 -50.01 64.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -49.63 -40.43 39.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -72.02 -43.0 65.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.598 ' CD2' HD12 ' A' ' 33' ' ' LEU . 33.9 mt -61.01 -49.35 77.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 2.4 mtpm? -75.23 -9.5 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 t -84.61 -42.07 15.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.7 ptp -123.33 -33.11 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 95.4 m-70 -95.56 26.3 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.791 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -54.44 -35.36 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.81 -41.75 64.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.31 -43.66 98.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 77.2 mt -63.05 -58.93 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -51.97 -45.63 64.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -49.53 -50.55 41.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 m -68.51 -57.54 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.96 43.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -126.39 92.7 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -126.38 -57.29 0.15 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -84.81 35.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.813 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -46.72 -35.89 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.478 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.02 -37.49 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -52.93 -30.61 35.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -57.29 -20.28 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.626 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 25.1 m-85 -105.12 17.95 23.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 17.0 m-85 -151.79 159.45 43.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.573 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.66 127.21 16.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.452 HD13 ' OD1' ' A' ' 26' ' ' ASN . 89.7 mt -59.34 138.14 57.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.9 138.74 24.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 134.62 28.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . -87.15 -67.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.0 ptm180 33.87 38.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -126.23 -62.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.98 -39.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.22 157.42 22.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -55.51 152.78 16.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.88 17.85 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.734 2.289 . . . . 0.0 112.329 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.452 ' OD1' HD13 ' A' ' 16' ' ' LEU . 63.7 m-20 62.7 40.11 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -70.56 -72.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 39' ' ' SER . 3.0 m-85 -115.92 165.87 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -111.62 148.11 34.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.573 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 7.8 m -110.88 111.54 22.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -59.09 116.29 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -76.99 -2.83 35.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.623 HD12 ' CD2' ' A' ' 55' ' ' LEU . 19.3 mt -90.3 -54.34 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.2 p -108.17 -40.14 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.66 25.36 5.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -97.23 154.37 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 8.1 mp0 -84.78 128.16 34.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 67.5 t -134.44 110.12 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 8.8 t -81.84 154.32 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -52.49 -43.19 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 48.39 -175.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 157.14 61.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.55 61.51 7.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.77 -37.12 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' VAL . 6.6 p30 -84.97 -37.41 20.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 47' ' ' GLY . 7.4 p -35.05 -45.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.491 ' N ' HG13 ' A' ' 46' ' ' VAL . . . 169.94 -56.25 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.1 m -81.24 91.09 6.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 111.155 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' TRP . 4.3 m -47.76 127.33 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.31 -37.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.592 HD22 ' CD2' ' A' ' 14' ' ' PHE . 20.5 mt -56.65 -47.6 79.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.478 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 86.8 m95 -48.4 -45.55 36.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 57' ' ' SER . 24.0 mttp -54.26 -35.3 62.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -78.95 -43.21 25.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.623 ' CD2' HD12 ' A' ' 33' ' ' LEU . 36.1 mt -60.79 -47.57 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -76.82 -9.46 58.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 12.3 t -83.78 -40.94 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.8 ptp -125.72 -34.12 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.8 m-70 -93.65 25.44 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -55.31 -35.24 64.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.64 -39.91 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.72 -50.83 71.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 55' ' ' LEU . 66.7 mt -54.53 -60.46 3.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -52.56 -42.64 64.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -55.18 -42.68 73.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -85.2 36.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.12 74.02 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -128.06 -46.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.11 -100.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.422 ' H ' ' CD ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -79.54 134.55 36.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.84 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.785 0.326 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -47.95 -34.85 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -50.57 -35.27 29.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -52.94 -31.76 42.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -56.85 -16.99 7.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.586 ' CD2' HD11 ' A' ' 33' ' ' LEU . 28.9 m-85 -108.69 19.22 19.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 79.3 m-85 -151.7 152.24 32.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.589 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -137.62 129.24 28.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.576 HD22 ' OD1' ' A' ' 26' ' ' ASN . 97.8 mt -64.83 141.17 58.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.89 144.9 28.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.728 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 155.7 65.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.41 97.36 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -110.33 -52.06 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.06 -55.54 11.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.95 -30.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' HIS . 36.8 m80 -78.18 153.13 32.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.815 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -37.63 155.59 0.1 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.644 0.735 . . . . 0.0 110.838 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 169.56 18.7 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.576 ' OD1' HD22 ' A' ' 16' ' ' LEU . 18.7 t-20 74.57 33.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -64.82 -72.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 3.1 m-85 -120.25 161.64 20.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -101.77 128.62 48.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.589 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 9.2 m -94.99 110.82 22.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.5 t -57.91 130.61 47.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -89.01 1.12 56.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 55' ' ' LEU . 54.1 mt -94.29 -47.2 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.5 p -121.85 -37.25 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.03 27.77 5.24 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -88.3 138.55 31.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -78.61 116.64 19.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 58.8 t -131.02 125.1 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 47.5 p -94.94 165.08 12.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -122.54 -47.76 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.98 -166.42 53.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 178.98 4.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.282 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.21 69.38 0.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.588 HG22 ' N ' ' A' ' 45' ' ' ASN . 14.6 p -131.56 164.78 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.588 ' N ' HG22 ' A' ' 44' ' ' VAL . 11.7 t-20 72.55 39.82 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.2 t -104.88 -41.06 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.25 -76.03 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' THR . 57.6 m -115.46 85.83 2.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.873 0.368 . . . . 0.0 111.157 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.8 m -37.75 128.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.48 -33.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 24.0 mt -57.38 -50.36 73.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.563 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 90.0 m95 -48.36 -52.29 22.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -43.45 -42.33 4.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.83 -47.88 57.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.625 ' CD2' HD12 ' A' ' 33' ' ' LEU . 25.9 mt -56.5 -45.01 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -78.98 -9.15 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.3 t -84.15 -37.88 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.1 ptp -128.82 -34.98 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.588 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.0 m-70 -93.12 24.99 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -54.85 -35.0 63.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 43.7 mt-10 -74.19 -39.47 63.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.65 -44.83 96.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 55' ' ' LEU . 76.5 mt -63.05 -58.1 8.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -52.85 -43.05 65.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 10.4 mmmt -52.63 -53.25 49.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.9 m -74.98 159.15 32.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' SER . . . -34.5 -42.81 0.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.45 ' H ' ' CD2' ' A' ' 68' ' ' HIS . 13.2 m-70 -55.42 100.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.829 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' GLN . . . -120.0 130.95 8.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' GLY . 28.2 pt20 34.91 42.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.812 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -98.99 -31.43 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -52.65 -25.3 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -52.87 -32.0 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -56.98 -19.07 16.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.652 ' CD2' HD11 ' A' ' 33' ' ' LEU . 52.9 m-85 -104.5 17.33 24.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.493 ' CG ' HD22 ' A' ' 51' ' ' LEU . 96.8 m-85 -150.22 156.74 42.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.578 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -142.26 130.74 22.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -68.23 144.68 54.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.0 152.68 43.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.556 0.693 . . . . 0.0 111.135 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 135.16 29.6 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.92 144.67 34.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -96.73 -53.17 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.84 172.93 12.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 23' ' ' HIS . . . -41.08 -37.95 1.62 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.545 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' GLY . 18.0 m170 -37.18 109.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -49.96 154.93 1.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 110.884 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.13 2.92 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.372 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.54 40.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -84.62 -70.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.547 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 46.6 m-85 -126.54 146.92 49.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.46 125.93 51.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.578 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 29.6 m -90.58 111.04 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 10.2 t -60.64 127.31 31.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -86.59 0.73 53.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.652 HD11 ' CD2' ' A' ' 13' ' ' TYR . 61.5 mt -93.27 -49.28 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.23 -38.46 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.69 31.64 3.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -103.19 139.66 38.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 14.9 mp0 -77.85 127.98 33.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.566 HG12 ' NH2' ' A' ' 40' ' ' ARG . 62.2 t -135.41 118.43 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.547 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 34.4 p -84.97 165.57 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.706 ' HB3' HG11 ' A' ' 44' ' ' VAL . 12.3 mmp_? -84.87 -47.05 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.29 176.59 41.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.525 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 104.62 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.264 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.83 73.24 1.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 40' ' ' ARG . 2.8 p -116.61 -7.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -101.31 -32.18 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -37.1 -32.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' THR . . . -178.85 -136.26 2.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' GLY . 22.6 m -33.9 105.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 111.154 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.8 m -58.93 126.31 27.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.497 ' H ' HG23 ' A' ' 44' ' ' VAL . . . -34.86 -33.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.493 HD22 ' CG ' ' A' ' 14' ' ' PHE . 15.0 mt -56.62 -49.26 75.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.503 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 96.6 m95 -53.9 -53.46 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -40.05 -42.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -72.35 -45.03 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' HIS . 57.4 mt -57.93 -45.18 86.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -79.03 -9.51 59.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 t -83.01 -38.68 22.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.4 ptp -129.13 -36.31 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.591 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.0 m-70 -90.31 18.58 5.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.75 -36.59 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -76.69 -40.29 49.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' OE1' HD22 ' A' ' 33' ' ' LEU . 5.1 tt0 -57.44 -46.58 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 75.9 mt -58.79 -53.06 62.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -44.23 -47.33 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -56.74 -45.4 82.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.2 m -64.64 -56.85 11.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.17 43.45 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -121.77 82.6 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.95 -53.33 34.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -130.5 -51.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.4 -37.49 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.601 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.95 -30.63 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -53.49 -29.27 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -58.02 -18.99 27.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.599 ' CD2' HD11 ' A' ' 33' ' ' LEU . 49.9 m-85 -105.61 18.29 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 35.9 m-85 -151.09 159.33 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.87 127.94 17.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.93 145.01 56.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -91.94 158.89 39.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 111.062 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.5 Cg_endo -69.8 144.68 54.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.682 ' HB2' HE22 ' A' ' 27' ' ' GLN . . . -121.29 167.09 13.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 10.6 ptm180 -103.03 150.73 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -33.93 106.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.63 -73.2 0.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -83.44 141.9 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.472 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 4.0 p80 -77.67 158.41 78.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.79 2.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -96.31 44.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.682 HE22 ' HB2' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -98.6 -34.69 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 68.0 m-85 -155.65 161.75 40.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.61 135.28 53.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.582 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 10.6 m -102.05 111.47 23.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.05 126.02 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -84.15 1.28 45.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 13' ' ' TYR . 94.7 mt -94.07 -50.99 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.59 -36.35 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.66 25.05 6.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' NH1' ' HA ' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -90.39 136.37 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -79.23 123.97 27.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.1 t -126.31 110.63 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.58 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 92.3 p -87.11 138.99 31.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.688 ' O ' HG21 ' A' ' 44' ' ' VAL . 10.8 ptm180 -110.23 -41.42 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 40' ' ' ARG . . . 112.42 164.02 16.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -50.33 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.75 84.47 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.688 HG21 ' O ' ' A' ' 40' ' ' ARG . 92.0 t -126.79 101.48 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -119.22 81.86 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -130.98 172.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.88 -37.54 15.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.2 m -102.95 97.36 7.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.4 m -51.12 128.5 21.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.52 -34.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 14' ' ' PHE . 17.7 mt -58.55 -53.13 61.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.601 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 87.6 m95 -40.04 -52.32 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.91 -42.88 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -69.71 -41.24 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.52 ' HB3' HD21 ' A' ' 63' ' ' LEU . 44.4 mt -62.33 -47.3 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -76.83 -9.47 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.0 t -82.98 -42.41 17.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.8 ptp -124.31 -34.15 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.9 m-70 -93.97 24.94 3.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -53.08 -33.08 50.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -76.12 -45.8 32.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.21 -51.71 65.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 55' ' ' LEU . 84.4 mt -52.0 -63.2 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -45.98 -45.33 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -52.17 -46.14 65.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.9 m -88.75 16.78 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.07 68.37 1.72 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -124.24 82.18 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -131.66 -39.38 0.24 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -41.16 -28.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.84 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -85.78 -32.83 21.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.646 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.8 -25.44 7.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.546 ' CD2' HD11 ' A' ' 51' ' ' LEU . 33.2 m95 -52.55 -28.33 20.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -56.67 -22.74 36.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' CD1' HD11 ' A' ' 33' ' ' LEU . 37.9 m-85 -101.66 16.8 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.663 ' CG ' HD22 ' A' ' 51' ' ' LEU . 93.3 m-85 -146.58 157.33 43.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.593 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.12 125.14 14.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.9 mt -63.22 152.64 36.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.77 148.27 36.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.533 0.683 . . . . 0.0 111.131 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 157.86 59.02 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.16 120.52 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -92.31 -47.82 6.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.73 150.38 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.86 -56.4 0.49 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.52 157.52 37.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.55 153.24 62.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 3.2 2.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -101.25 31.67 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -67.98 -70.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 39' ' ' SER . 3.5 m-85 -125.64 166.4 16.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.45 128.47 56.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.593 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 20.8 m -92.44 114.63 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 6.6 t -64.07 116.25 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.98 -4.71 45.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 17.0 mt -86.95 -54.55 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.34 -41.2 5.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.01 29.32 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -99.77 158.61 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -90.63 123.89 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -135.51 121.35 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.559 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 7.5 t -106.01 130.44 53.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mtp-105 -59.92 -64.86 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.51 163.61 11.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -1.56 8.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -178.5 69.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.5 t -92.44 119.8 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -53.87 159.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.2 t -79.15 85.92 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.79 -113.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.7 m -70.84 76.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 111.135 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.7 m -45.99 125.7 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.1 -37.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.663 HD22 ' CG ' ' A' ' 14' ' ' PHE . 24.0 mt -52.25 -55.01 24.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.646 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 88.3 m95 -48.63 -52.8 21.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -46.69 -43.37 17.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -69.96 -36.98 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' A' ' 63' ' ' LEU . 65.5 mt -65.66 -46.36 79.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -77.16 -9.56 58.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -84.28 -43.43 14.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.4 ptp -122.09 -36.39 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.3 m-70 -90.97 23.48 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -52.67 -38.05 59.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -70.53 -40.88 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.7 -45.56 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' A' ' 55' ' ' LEU . 66.7 mt -64.19 -54.52 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.15 -44.03 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.91 -44.21 85.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.2 m -64.0 174.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' HIS . . . -68.02 -42.1 85.76 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' GLY . 33.1 m-70 -35.58 149.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.85 -38.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.82 76.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.825 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -91.07 -35.08 14.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -49.32 -29.82 6.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -52.76 -30.31 32.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -56.82 -21.6 30.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.8 m-85 -103.77 18.18 22.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD2' HD22 ' A' ' 51' ' ' LEU . 50.8 m-85 -150.94 156.87 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.585 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -137.42 129.81 29.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.8 mt -71.27 146.81 48.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -91.94 155.39 43.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.561 0.696 . . . . 0.0 111.111 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.9 Cg_endo -69.74 141.41 45.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.87 113.66 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -109.66 -48.3 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.71 37.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' HIS . . . 75.07 -62.69 2.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' GLY . 5.9 m170 -35.74 137.09 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.462 ' CD2' ' N ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -40.97 154.14 0.22 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -2.56 10.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -88.81 42.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -80.31 -74.91 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 39' ' ' SER . 3.4 m-85 -118.45 173.91 6.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.23 124.24 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.585 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 29.8 m -88.93 118.03 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.44 119.66 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -80.71 0.19 35.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 20.7 mt -92.02 -51.26 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.7 p -114.09 -37.65 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.37 26.6 5.35 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.431 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -98.45 142.99 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.462 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 16.1 mp0 -81.57 127.74 33.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.8 t -134.14 111.82 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 57.0 p -95.64 147.3 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.8 mtm-85 -93.23 -54.65 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.45 179.74 20.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.5 68.47 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.3 p -46.99 135.31 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -70.32 148.55 48.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.6 t -79.41 89.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.71 -114.13 0.45 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.0 m -79.93 83.19 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.866 0.365 . . . . 0.0 111.149 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.42 127.1 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.27 -37.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.518 HD22 ' CD2' ' A' ' 14' ' ' PHE . 23.0 mt -54.62 -49.73 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.576 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 82.3 m95 -48.2 -48.07 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -50.89 -38.63 50.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -74.45 -42.37 59.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 59' ' ' HIS . 37.8 mt -61.25 -50.05 74.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -74.24 -9.37 58.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 t -83.44 -41.32 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.6 ptp -126.08 -33.96 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.588 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 91.4 m-70 -95.07 26.34 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.4 ttm105 -54.94 -32.83 61.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -76.13 -44.58 37.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.08 -47.86 74.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.5 mt -54.93 -57.79 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -46.67 -48.87 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -52.15 -36.01 50.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -85.41 32.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.93 50.13 27.62 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -114.53 106.01 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.796 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.27 136.46 7.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 62.37 35.89 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.9 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.823 0.344 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -69.92 -36.23 75.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.494 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -49.36 -36.33 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -54.01 -29.22 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.86 -8.68 5.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 31.6 m-85 -117.42 18.85 14.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.641 ' CD2' HD22 ' A' ' 51' ' ' LEU . 35.9 m-85 -152.29 155.89 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.58 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -142.29 127.1 18.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.62 141.51 58.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.65 142.87 26.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 146.73 61.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.36 157.92 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 10.3 ptp85 -112.12 -44.89 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 20' ' ' ARG . . . -80.86 176.32 9.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.6 -36.92 2.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -44.42 121.07 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -48.28 157.5 0.67 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.0 3.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.313 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -109.45 79.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -104.8 -71.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 2.8 m-85 -121.72 168.39 11.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.69 122.43 46.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.58 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 43.1 m -88.01 111.53 21.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.38 120.51 10.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -82.72 -0.2 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 16.5 mt -93.51 -49.4 5.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -112.53 -37.87 4.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.6 26.14 6.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -101.1 145.5 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -86.99 127.85 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.5 t -133.23 122.95 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.545 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 34.8 p -79.32 153.79 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.8 ' HD2' HG21 ' A' ' 44' ' ' VAL . 65.5 mtm-85 -74.31 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.98 170.09 43.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 97.85 0.66 Allowed 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.36 47.66 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.916 HG13 ' OD1' ' A' ' 45' ' ' ASN . 8.2 p -103.55 164.52 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 111.102 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.916 ' OD1' HG13 ' A' ' 44' ' ' VAL . 2.4 p-10 45.97 43.03 10.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 44' ' ' VAL . 74.6 t -125.19 -40.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.56 -56.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' THR . 26.1 m -131.33 85.96 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 111.195 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -37.88 125.32 1.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HA ' ' CE ' ' A' ' 53' ' ' LYS . . . -39.63 -32.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.641 HD22 ' CD2' ' A' ' 14' ' ' PHE . 16.4 mt -63.07 -43.55 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.494 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 70.9 m95 -50.93 -41.18 58.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -60.52 -28.88 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -86.43 -34.03 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.583 ' CD2' HD12 ' A' ' 33' ' ' LEU . 50.3 mt -69.16 -47.53 64.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -77.55 -9.89 59.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -86.13 -39.69 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 2.8 ptp -122.86 -36.13 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.6 m-70 -94.64 26.1 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -52.81 -38.1 60.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -70.0 -43.13 72.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.6 -30.93 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 55' ' ' LEU . 81.3 mt -77.35 -60.79 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -53.42 -52.01 60.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 66' ' ' SER . 9.7 pttp -45.22 -31.62 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 6.3 t -89.44 -53.88 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.58 32.47 0.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -116.48 36.76 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.92 -59.44 4.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -99.14 74.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -91.92 -25.21 19.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.648 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -58.04 -20.97 43.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -51.05 -28.26 9.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.667 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 15.4 pt-20 -54.89 -27.07 39.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.667 ' CE1' ' CG ' ' A' ' 12' ' ' GLU . 26.6 m-85 -99.7 19.08 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 85.6 m-85 -148.1 157.69 43.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.585 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -141.52 129.23 21.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 26' ' ' ASN . 35.5 mt -64.83 146.37 54.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.86 136.62 26.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.1 66.75 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.649 2.232 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.62 96.17 10.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.056 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -69.56 70.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 38.19 43.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.82 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -58.75 112.25 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 56.8 t-80 -42.51 140.71 1.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 53.3 Cg_endo -69.8 178.42 4.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.453 ' HA ' HD22 ' A' ' 16' ' ' LEU . 5.1 m120 49.48 37.65 12.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -91.25 -70.98 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 3.1 m-85 -115.97 162.47 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.4 140.18 48.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.585 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 21.2 m -103.44 117.1 33.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.9 t -63.74 121.87 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.482 ' NE ' ' HB3' ' A' ' 15' ' ' HIS . 81.5 mtt-85 -81.72 -3.91 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.639 HD11 ' CD2' ' A' ' 13' ' ' TYR . 54.4 mt -89.77 -53.93 4.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -106.33 -42.46 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.29 25.97 5.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -94.44 173.75 7.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -108.93 126.59 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.0 t -135.23 111.75 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 54.2 p -89.59 153.46 20.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.422 ' HB2' HG11 ' A' ' 44' ' ' VAL . 9.6 ptm180 -110.79 -46.66 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 40' ' ' ARG . . . 115.64 168.29 15.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -0.35 6.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.582 ' O ' HG12 ' A' ' 44' ' ' VAL . . . -141.9 -69.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 43' ' ' GLY . 7.2 p 44.55 31.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -82.65 79.54 9.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.499 HG23 ' N ' ' A' ' 47' ' ' GLY . 35.6 m -127.69 -45.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.499 ' N ' HG23 ' A' ' 46' ' ' VAL . . . 149.7 -67.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' THR . 42.2 m -82.4 86.55 6.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 3.0 m -36.5 129.55 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.47 -36.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 20.7 mt -56.89 -54.58 44.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.648 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 86.4 m95 -46.72 -53.99 10.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -45.79 -44.07 13.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -68.08 -43.81 77.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.589 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 49.8 mt -60.59 -47.57 85.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -75.9 -9.72 58.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.6 t -84.28 -39.68 18.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.3 ptp -126.97 -34.75 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' A' ' 55' ' ' LEU . 96.3 m-70 -92.87 20.19 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -47.88 -36.87 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.69 -47.04 56.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -56.05 -32.26 63.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.431 HD11 ' CB ' ' A' ' 55' ' ' LEU . 70.3 mt -76.42 -55.17 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.69 -51.96 65.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 66' ' ' SER . 41.1 pttt -47.64 -32.22 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.1 t -90.07 -69.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.96 35.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -121.19 39.63 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.69 -57.19 2.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.539 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -88.19 81.53 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.851 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -82.55 -38.71 23.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.33 -33.36 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CD2' HD11 ' A' ' 51' ' ' LEU . 32.7 m95 -52.81 -32.5 44.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.03 -14.61 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CD2' HD11 ' A' ' 33' ' ' LEU . 36.8 m-85 -110.15 19.09 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 51' ' ' LEU . 98.1 m-85 -149.36 154.15 38.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.586 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -138.51 129.99 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.45 148.78 47.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.96 143.94 28.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.56 67.68 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.96 140.0 52.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -129.08 -55.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.65 -44.66 47.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.88 89.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' HIS . 13.3 p80 -174.59 124.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.581 ' CD2' ' HD2' ' A' ' 25' ' ' PRO . 1.8 t-80 -38.15 139.61 0.63 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.525 0.678 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.581 ' HD2' ' CD2' ' A' ' 24' ' ' HIS . 54.2 Cg_endo -69.74 2.98 3.03 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.414 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -100.66 38.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -81.97 -60.75 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 9.8 m-85 -139.38 153.96 47.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.62 130.34 56.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.586 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 27.8 m -94.53 116.78 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 8.6 t -63.73 126.07 26.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -86.85 -0.9 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 13' ' ' TYR . 31.1 mt -91.86 -48.1 6.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.6 p -118.84 -39.55 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 37' ' ' GLN . . . 111.6 23.17 5.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -89.52 142.57 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.763 0.316 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 6.0 mp0 -85.1 122.82 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.32 116.12 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 90.1 p -100.94 161.81 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.406 ' HB3' HG21 ' A' ' 44' ' ' VAL . 40.7 mtp85 -97.81 -48.86 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.3 -177.21 23.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.76 145.19 56.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . 34.04 87.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.406 HG21 ' HB3' ' A' ' 40' ' ' ARG . 95.6 t -120.37 143.57 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.104 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -175.06 116.24 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.727 HG22 ' H ' ' A' ' 48' ' ' THR . 5.7 p -168.15 137.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.77 -33.27 4.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.727 ' H ' HG22 ' A' ' 46' ' ' VAL . 91.8 m -96.31 90.36 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 111.14 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 51' ' ' LEU . 15.1 m -44.85 124.72 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.94 -33.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 23.9 mt -57.74 -56.89 16.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -38.6 -54.76 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HE3' ' CG2' ' A' ' 48' ' ' THR . 1.4 mptm? -39.85 -46.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -69.65 -45.72 67.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 59' ' ' HIS . 71.6 mt -56.48 -47.37 79.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 18.4 mttm -78.12 -9.34 59.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 40.9 t -81.98 -41.61 20.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.2 ptp -127.1 -33.99 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.487 ' C ' ' O ' ' A' ' 55' ' ' LEU . 85.8 m-70 -92.94 24.39 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' CZ ' ' OE2' ' A' ' 64' ' ' GLU . 72.3 ttt-85 -53.05 -39.09 62.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -69.91 -38.82 76.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.68 -40.82 93.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.497 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 74.1 mt -69.47 -54.41 14.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' OE2' ' CZ ' ' A' ' 60' ' ' ARG . 24.3 mt-10 -53.41 -41.01 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 1.4 tmmm? -74.23 -55.03 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.6 p -44.41 -42.37 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.69 54.29 2.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -91.63 45.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.87 -179.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -78.75 64.38 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.936 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.77 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.451 ' HG2' ' CE1' ' A' ' 68' ' ' HIS . 5.5 tp10 -80.01 -33.86 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.61 -30.03 12.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CD2' HD11 ' A' ' 51' ' ' LEU . 41.3 m95 -53.35 -29.97 36.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.82 -11.63 3.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CD2' HD11 ' A' ' 33' ' ' LEU . 44.9 m-85 -112.93 18.45 18.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 88.9 m-85 -150.59 156.19 40.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.577 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.03 127.8 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.734 HD22 ' HA ' ' A' ' 26' ' ' ASN . 47.2 mt -72.39 134.12 45.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.95 152.02 42.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 150.32 68.23 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.56 92.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -106.71 118.88 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 44.4 43.0 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.91 -166.85 20.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -70.4 173.05 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.409 ' ND1' ' C ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -41.41 157.6 0.2 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.54 0.686 . . . . 0.0 110.916 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -171.68 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.649 2.232 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.734 ' HA ' HD22 ' A' ' 16' ' ' LEU . 2.4 m120 59.46 40.57 20.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -109.22 -40.31 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 37.3 m-85 -124.28 143.18 50.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.55 122.92 47.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.577 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 21.7 m -90.27 110.99 22.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 7.4 t -61.71 122.71 16.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -83.05 1.06 42.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.544 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 29.8 mt -93.4 -50.48 5.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -112.8 -37.48 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.15 29.29 4.91 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -104.71 146.15 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -86.51 131.21 34.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.65 98.92 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 69.5 p -58.81 114.85 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.448 ' CD ' HG11 ' A' ' 44' ' ' VAL . 12.7 ttp-105 -54.39 -60.62 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.33 -162.75 13.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' VAL . 53.7 Cg_endo -69.78 -163.72 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . -34.2 93.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 44' ' ' VAL . 10.0 p -102.51 37.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 111.113 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -89.5 73.24 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -134.77 147.97 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.3 -33.71 2.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.8 m -103.74 84.74 2.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 111.171 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.9 m -50.68 129.93 23.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.16 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 11' ' ' TRP . 16.0 mt -62.72 -54.94 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -40.82 -54.64 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -39.41 -43.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -73.14 -44.39 60.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.673 ' CB ' HD11 ' A' ' 63' ' ' LEU . 66.3 mt -59.08 -34.16 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -92.31 -8.84 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -83.11 -37.5 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.502 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -128.7 -39.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.0 m-70 -88.83 22.42 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -49.14 -39.49 28.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -71.66 -41.17 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -56.79 -51.12 70.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.673 HD11 ' CB ' ' A' ' 55' ' ' LEU . 89.7 mt -59.66 -62.27 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -39.21 -47.74 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -50.17 -53.13 29.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -75.75 -175.54 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.29 46.18 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.451 ' CE1' ' HG2' ' A' ' 9' ' ' GLU . 69.7 m-70 -126.63 39.21 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.7 7.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -131.61 131.85 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.843 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.8 -48.51 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.52 ' HB1' ' CD1' ' A' ' 55' ' ' LEU . . . -48.14 -27.22 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -53.05 -32.34 46.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.99 -16.84 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.468 ' HB2' HD21 ' A' ' 55' ' ' LEU . 32.0 m-85 -108.19 18.58 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CG ' HD22 ' A' ' 51' ' ' LEU . 98.1 m-85 -152.28 155.54 37.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.579 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -144.15 128.59 17.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 26' ' ' ASN . 72.7 mt -69.01 141.3 54.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.3 151.9 37.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.101 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 141.63 45.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HB2' ' CA ' ' A' ' 25' ' ' PRO . . . -78.46 96.47 5.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.063 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -107.39 -44.06 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.63 -53.16 25.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.92 -72.3 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.51 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -46.95 146.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.33 158.31 0.77 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.457 ' CA ' ' HB2' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.72 -168.06 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.528 ' HA ' HD22 ' A' ' 16' ' ' LEU . 1.9 m-80 59.04 41.35 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -106.14 -44.37 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 34.3 m-85 -129.05 150.03 50.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.46 126.34 55.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.579 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 30.6 m -87.58 112.38 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.456 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 9.8 t -64.09 128.49 36.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -84.75 -7.08 59.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.587 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.1 mt -84.43 -55.88 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -105.55 -43.54 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.74 31.76 2.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -110.45 143.89 40.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -82.43 127.77 33.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -126.02 103.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 20.6 p -73.71 142.67 46.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -51.38 -60.6 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.48 -178.82 16.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -46.15 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.14 52.57 0.6 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.744 HG21 ' HB2' ' A' ' 50' ' ' ALA . 14.4 p -54.64 143.59 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.172 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -75.7 122.89 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.67 -51.14 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.11 -72.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -86.86 86.54 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.15 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.4 m -45.19 126.28 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.744 ' HB2' HG21 ' A' ' 44' ' ' VAL . . . -35.41 -36.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.053 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.572 HD22 ' CG ' ' A' ' 14' ' ' PHE . 25.6 mt -55.69 -53.58 54.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 93.5 m95 -46.26 -53.48 10.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -40.07 -43.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -74.38 -41.06 61.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.522 ' HB3' HD21 ' A' ' 63' ' ' LEU . 56.8 mt -60.96 -33.6 73.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -92.3 -8.55 44.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -82.82 -41.58 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.502 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -125.24 -37.45 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.587 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 89.7 m-70 -90.42 24.23 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -54.66 -34.33 62.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -76.34 -40.86 50.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.13 -42.15 94.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 55' ' ' LEU . 76.5 mt -59.94 -58.91 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.46 -43.11 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -53.82 -49.08 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.22 35.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' HIS . . . 58.12 -92.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' GLY . 28.2 m-70 34.55 39.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.91 -51.81 42.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -98.15 78.1 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.946 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.767 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -92.62 -34.49 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.639 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -54.05 -26.98 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -53.85 -26.37 24.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -59.82 -20.1 54.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.673 ' CD2' HD11 ' A' ' 33' ' ' LEU . 36.9 m-85 -107.25 19.22 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.658 ' CG ' HD22 ' A' ' 51' ' ' LEU . 95.4 m-85 -150.98 157.43 42.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.58 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.91 128.76 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 26' ' ' ASN . 57.5 mt -69.08 137.41 53.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.93 143.97 28.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.07 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 160.77 48.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.25 111.85 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.2 -18.02 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.84 -48.89 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.62 -53.14 0.44 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' HIS . 2.0 t-80 -48.94 137.93 12.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -36.47 155.16 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.707 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 174.21 9.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.462 ' HA ' HD22 ' A' ' 16' ' ' LEU . 5.0 m-20 63.7 44.12 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -94.77 -40.19 9.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 24.3 m-85 -138.7 148.89 44.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.61 132.73 50.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.58 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 11.4 m -96.59 110.6 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 9.0 t -58.22 121.43 10.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -82.27 3.79 26.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.673 HD11 ' CD2' ' A' ' 13' ' ' TYR . 30.3 mt -96.86 -47.09 5.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -123.45 -33.95 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.91 18.48 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -78.85 140.03 38.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -85.69 112.15 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.5 t -114.42 119.52 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 60.5 p -100.06 119.04 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.773 ' HB3' HG11 ' A' ' 44' ' ' VAL . 67.1 mtm180 -48.43 -71.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.54 -175.08 22.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.18 77.96 1.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.773 HG11 ' HB3' ' A' ' 40' ' ' ARG . 16.1 m -125.14 -6.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -94.14 48.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.8 m -110.06 -10.58 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.54 -48.72 0.95 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 m -90.87 99.55 12.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' ALA . 3.4 m -58.09 125.61 23.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.94 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.658 HD22 ' CG ' ' A' ' 14' ' ' PHE . 33.7 mt -55.73 -49.03 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.639 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 95.8 m95 -53.93 -50.22 66.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -46.47 -42.18 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -73.01 -41.71 63.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.52 ' CB ' HD11 ' A' ' 63' ' ' LEU . 59.1 mt -59.57 -48.69 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 30.0 mttt -76.96 -9.67 58.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -82.7 -38.97 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.2 ptp -127.67 -33.09 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.593 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.2 m-70 -96.21 26.61 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -53.43 -32.68 50.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.38 -46.91 37.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -54.19 -56.12 21.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.52 HD11 ' CB ' ' A' ' 55' ' ' LEU . 91.8 mt -49.65 -58.95 4.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.56 -39.8 71.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.67 -47.28 82.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 m -70.71 -175.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.99 44.87 3.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -107.4 81.57 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.93 115.94 5.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 51.26 42.96 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.79 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.849 0.357 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -89.79 -41.88 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.497 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -47.83 -26.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -52.41 -32.77 40.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -56.37 -20.03 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CD2' HD11 ' A' ' 33' ' ' LEU . 28.0 m-85 -104.7 18.49 22.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.689 ' CG ' HD22 ' A' ' 51' ' ' LEU . 87.4 m-85 -150.78 146.64 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.593 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -133.61 122.44 23.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.725 HD13 ' CG ' ' A' ' 26' ' ' ASN . 20.8 mt -67.01 142.96 57.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -100.37 155.59 36.21 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.5 Cg_endo -69.76 135.89 31.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.55 120.8 36.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -127.01 -32.54 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.21 -45.99 17.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.6 21.07 0.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -114.69 167.3 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.546 ' CE1' ' O ' ' A' ' 25' ' ' PRO . 11.1 t-80 -43.4 134.55 3.42 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.616 0.722 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.546 ' O ' ' CE1' ' A' ' 24' ' ' HIS . 53.8 Cg_endo -69.75 149.18 66.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.725 ' CG ' HD13 ' A' ' 16' ' ' LEU . 71.4 m-20 58.49 47.66 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 5.4 pt20 -84.69 -45.8 12.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 51.4 m-85 -106.66 156.09 18.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.11 136.93 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.593 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 12.2 m -101.74 109.84 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.5 t -58.16 120.53 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -79.37 -2.97 44.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.658 HD12 ' CD2' ' A' ' 55' ' ' LEU . 34.4 mt -89.71 -51.66 5.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -112.52 -40.87 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.22 29.33 4.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -103.35 139.97 38.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.416 ' CD ' ' H ' ' A' ' 37' ' ' GLN . 12.7 mp0 -73.39 130.67 40.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.0 t -132.32 110.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.458 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 85.8 p -78.38 152.83 32.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -88.69 -45.9 9.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.0 164.52 8.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 82.35 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.365 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.67 43.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 44' ' ' VAL . 7.9 p -111.14 33.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 46' ' ' VAL . 8.6 t-20 -116.45 -34.48 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' ASN . 92.7 t -33.76 -43.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.74 -73.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 m -59.28 87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 111.137 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.8 m -54.8 126.62 24.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.88 -38.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.689 HD22 ' CG ' ' A' ' 14' ' ' PHE . 21.7 mt -55.41 -53.41 56.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.497 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 80.2 m95 -48.34 -52.27 22.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -46.6 -41.93 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -72.15 -44.08 63.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.658 ' CD2' HD12 ' A' ' 33' ' ' LEU . 39.9 mt -59.0 -47.58 84.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.491 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 2.0 mtpm? -77.65 -9.62 59.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.7 t -82.66 -42.25 18.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.49 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.9 ptp -124.75 -35.4 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.946 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.3 m-70 -92.0 22.98 3.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -51.79 -37.67 52.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -70.26 -40.02 74.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.91 -49.93 74.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 55' ' ' LEU . 70.4 mt -55.48 -53.94 50.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -50.51 -48.51 56.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -49.41 -47.05 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -84.69 32.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.98 45.7 9.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -112.74 -63.59 1.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 45.08 -110.56 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -91.27 43.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.813 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -89.42 -25.1 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -54.66 -21.82 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.434 ' CD2' HD11 ' A' ' 51' ' ' LEU . 34.4 m95 -53.25 -26.33 17.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -59.86 -20.54 57.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.453 ' CD2' HD11 ' A' ' 33' ' ' LEU . 26.2 m-85 -104.65 18.07 22.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.879 ' CG ' HD22 ' A' ' 51' ' ' LEU . 77.0 m-85 -150.79 152.92 34.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -140.92 122.08 14.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.8 mt -64.26 142.14 58.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.02 143.01 25.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 111.084 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.56 68.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.38 117.19 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -87.72 34.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.7 173.46 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.04 -42.44 87.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.437 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -39.78 134.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 2.2 t-80 -43.69 140.76 2.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.634 0.73 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 54.6 Cg_endo -69.72 -27.04 27.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.52 69.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -95.93 -48.9 5.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 39' ' ' SER . 34.7 m-85 -132.28 169.05 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.66 141.02 52.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.582 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 15.6 m -102.41 110.88 22.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 4.0 t -62.02 112.03 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 15.4 mtp-105 -71.53 -4.44 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 16.9 mt -87.95 -55.67 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -109.09 -35.46 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.93 28.91 6.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -99.29 145.8 26.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -83.7 122.03 28.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 80.0 t -125.2 128.53 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.193 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.522 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 4.2 t -87.34 164.32 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.685 ' HB3' HG11 ' A' ' 44' ' ' VAL . 78.6 mtm180 -102.11 -61.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.27 174.4 45.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 117.44 5.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.71 -27.87 4.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.685 HG11 ' HB3' ' A' ' 40' ' ' ARG . 9.9 p -54.43 -22.92 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.088 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.563 ' OD1' HG12 ' A' ' 46' ' ' VAL . 1.8 p30 -54.78 -46.34 74.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.563 HG12 ' OD1' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -132.1 111.36 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.73 173.69 13.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.403 HG22 ' HG3' ' A' ' 53' ' ' LYS . 90.8 m -43.42 103.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 111.12 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.3 m -57.13 126.13 25.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.59 -31.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.879 HD22 ' CG ' ' A' ' 14' ' ' PHE . 25.6 mt -61.67 -48.61 80.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 97.3 m95 -55.37 -46.88 76.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HG3' HG22 ' A' ' 48' ' ' THR . 17.4 mtpp -55.04 -34.19 63.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -78.97 -37.7 38.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 59' ' ' HIS . 47.1 mt -64.39 -50.46 67.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 1.9 mttp -74.99 -10.74 59.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.37 -40.9 17.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.5 ptp -123.7 -35.61 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.588 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.8 m-70 -93.7 25.46 3.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 60' ' ' ARG . 15.4 ttp-105 -50.38 -36.49 32.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -73.27 -44.84 58.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -53.76 -44.79 70.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 85.8 mt -65.23 -59.36 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -45.23 -42.51 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -66.33 -48.41 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' GLY . 68.9 m -99.45 79.96 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 34.33 -116.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.5 m170 41.92 41.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.95 113.12 4.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 58.03 45.8 17.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.805 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -94.24 -26.15 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.549 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -57.72 -26.03 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -53.04 -31.69 42.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.96 -17.07 8.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CB ' HD21 ' A' ' 55' ' ' LEU . 25.1 m-85 -108.95 19.41 19.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 96.6 m-85 -152.03 155.48 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.573 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -142.7 128.3 19.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.572 HD22 ' HA ' ' A' ' 26' ' ' ASN . 81.3 mt -67.86 139.87 56.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.2 150.27 39.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 148.85 65.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.57 92.81 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 13.7 mtp-105 -103.38 -45.3 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.37 78.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.63 -146.38 7.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -80.59 174.98 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 25' ' ' PRO . 2.2 p80 -50.73 153.44 2.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.819 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.433 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 53.8 Cg_endo -69.8 170.42 16.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' HA ' HD22 ' A' ' 16' ' ' LEU . 2.5 m-20 60.69 37.96 18.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 16.1 pt20 -92.64 -51.43 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 39' ' ' SER . 7.2 m-85 -118.96 153.06 35.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.59 126.17 55.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.573 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 28.2 m -91.69 109.01 20.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 22.8 t -54.66 135.04 47.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -92.15 -1.88 56.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 85.0 mt -91.59 -50.6 5.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.21 -38.55 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 26.26 5.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.431 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -87.82 141.0 28.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.31 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -83.08 110.94 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.6 t -118.87 111.9 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.524 ' HB3' ' CG ' ' A' ' 28' ' ' TYR . 53.8 p -93.01 142.2 27.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -81.29 -44.11 18.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.92 -164.02 46.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.39 29.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.254 . . . . 0.0 112.328 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.82 42.55 3.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' ASN . 12.2 p -90.78 -34.98 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' VAL . 66.4 m-80 -35.33 -38.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 48' ' ' THR . 58.2 t -41.92 109.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -36.93 -37.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' THR . 92.7 m -81.01 76.94 7.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -33.45 133.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.44 -16.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 16.2 mt -62.52 -44.27 96.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 99.5 m95 -61.83 -57.2 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 57' ' ' SER . 57.3 mttt -38.93 -38.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -77.68 -40.11 42.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.562 HD21 ' CB ' ' A' ' 13' ' ' TYR . 34.5 mt -63.72 -49.85 71.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -75.48 -8.99 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 8.7 t -85.21 -41.77 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 2.5 ptp -123.41 -31.4 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.9 m-70 -98.27 27.36 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -56.81 -35.0 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -73.2 -34.86 66.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.96 -45.6 77.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 55' ' ' LEU . 46.4 mt -63.34 -57.84 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 65' ' ' LYS . 25.6 pt-20 -50.51 -46.05 56.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 11.5 tppt? -52.85 -51.38 61.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m -71.05 -176.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.83 44.38 3.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -103.65 40.78 1.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.12 -55.31 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -39.91 -43.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.924 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.81 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.1 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.53 -39.37 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -52.92 -31.64 41.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -53.54 -29.93 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -57.03 -17.9 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CD1' HD11 ' A' ' 33' ' ' LEU . 31.0 m-85 -107.42 18.49 21.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 73.0 m-85 -151.7 150.72 30.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.579 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -137.85 126.97 24.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 26' ' ' ASN . 61.5 mt -63.37 144.1 57.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.67 144.11 29.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 111.085 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 156.74 62.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.65 2.233 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.02 100.61 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.036 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -75.96 -46.85 27.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.71 174.97 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.23 -133.02 13.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -82.91 158.47 22.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.5 156.85 15.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.54 0.686 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -176.75 1.58 Allowed 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.677 2.252 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.58 HD22 HD13 ' A' ' 16' ' ' LEU . 29.5 t-20 63.03 42.31 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -114.15 -43.23 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.528 ' CE1' ' HB2' ' A' ' 39' ' ' SER . 16.1 m-85 -116.28 148.25 40.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' ' 14' ' ' PHE . . . -114.96 128.72 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.093 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.579 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 7.0 m -89.66 113.51 25.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.9 t -61.01 122.54 15.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -80.52 -5.09 56.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.593 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 41.6 mt -87.57 -54.36 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.32 -43.2 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.7 30.76 3.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -104.53 163.2 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -92.7 126.24 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -134.31 97.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.528 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 33.6 t -68.74 164.78 20.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.581 ' HD2' HG21 ' A' ' 44' ' ' VAL . 41.9 mtm180 -96.04 -52.07 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.77 170.95 32.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.519 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 2.46 3.49 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.89 77.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 44' ' ' VAL . 13.0 p -117.99 38.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -129.54 42.45 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 46' ' ' VAL . 11.7 t -102.45 40.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.59 -51.78 3.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.5 HG22 ' HB2' ' A' ' 52' ' ' TRP . 80.8 m -101.0 104.47 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.119 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.7 m -48.11 126.39 10.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.517 ' H ' HG23 ' A' ' 44' ' ' VAL . . . -37.15 -28.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' THR . 21.3 mt -62.41 -49.14 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.701 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 96.3 m95 -45.9 -53.71 9.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.38 -43.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -67.95 -46.11 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' HIS . 63.0 mt -56.77 -49.9 73.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 8.0 mttp -75.04 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -82.8 -41.0 19.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.7 ptp -126.5 -34.09 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.593 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 92.7 m-70 -93.46 21.12 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -47.19 -41.02 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -71.54 -45.58 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.32 -47.42 62.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 71.4 mt -59.91 -64.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -46.7 -55.33 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -49.17 -46.53 45.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 t -63.32 -46.73 85.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.94 48.06 0.5 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -109.8 46.51 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.823 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.09 -63.35 4.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -80.42 46.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.825 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.908 0.385 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.04 -27.83 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.689 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -56.86 -33.29 66.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.413 ' CD2' HD11 ' A' ' 51' ' ' LEU . 24.2 m95 -52.75 -30.1 30.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.04 -21.53 31.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' HB2' HD21 ' A' ' 55' ' ' LEU . 25.0 m-85 -104.4 18.96 21.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.631 ' CG ' HD22 ' A' ' 51' ' ' LEU . 90.2 m-85 -154.04 151.54 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.575 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -141.66 126.22 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.65 144.71 49.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.5 143.52 26.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.562 0.696 . . . . 0.0 111.158 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 152.41 69.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.11 115.6 20.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.429 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 1.3 mpp_? -106.8 101.57 11.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.56 42.38 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.07 -98.34 1.92 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -130.34 -59.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.8 t-80 -174.72 140.88 0.7 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 54.1 Cg_endo -69.75 2.85 3.16 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -123.9 70.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -124.39 -53.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 55.8 m-85 -124.74 150.05 46.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.55 131.39 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.07 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.575 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 23.8 m -93.07 112.87 24.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 t -60.51 127.61 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -87.21 -2.66 58.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 31.1 mt -89.25 -51.22 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -112.27 -41.7 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.62 30.73 3.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -103.98 145.67 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -80.88 125.42 30.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.24 120.34 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.549 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 65.9 p -91.5 144.98 25.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.7 mtp85 -78.07 -71.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.46 -172.56 15.38 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.4 Cg_endo -69.82 166.78 26.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . 35.34 77.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.94 177.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 65.44 43.9 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 46' ' ' VAL . 8.5 p -119.97 29.08 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.55 -117.01 3.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.3 m -55.36 98.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.6 m -60.2 127.49 32.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.49 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.631 HD22 ' CG ' ' A' ' 14' ' ' PHE . 24.8 mt -60.42 -54.83 40.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.689 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 92.1 m95 -46.47 -54.71 8.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -40.47 -44.5 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -69.0 -45.0 71.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 52' ' ' TRP . 37.4 mt -58.12 -41.04 82.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -84.63 -8.55 58.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -82.74 -44.82 15.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.497 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.8 ptp -122.87 -38.52 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.596 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.1 m-70 -86.85 21.67 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -54.58 -32.17 58.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -72.33 -42.58 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.84 -37.82 88.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 55' ' ' LEU . 78.9 mt -67.65 -57.64 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -48.34 -52.39 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -48.08 -44.05 31.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.2 m -95.15 172.65 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.25 50.28 3.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -126.14 -43.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -43.3 -43.18 5.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -87.76 42.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.861 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -81.45 86.01 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -91.35 -45.77 8.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.78 -125.73 4.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -49.32 163.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -127.2 138.36 53.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.92 40.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -85.21 29.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.585 ' OE2' ' CE1' ' A' ' 68' ' ' HIS . 17.5 tt0 -72.85 -30.41 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -54.91 -31.36 60.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.427 ' CD2' HD11 ' A' ' 51' ' ' LEU . 46.2 m95 -53.8 -27.46 29.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -58.87 -15.31 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 42.0 m-85 -109.41 18.19 20.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 48.4 m-85 -150.65 152.12 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.574 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -135.2 130.91 36.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -76.71 135.72 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.531 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -92.86 158.94 36.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.8 Cg_endo -69.69 153.53 69.14 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.379 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . -61.98 -50.81 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 20' ' ' ARG . 6.3 ppt_? 32.71 38.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -171.82 175.69 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 -43.73 97.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -67.08 131.23 45.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.42 ' ND1' ' O ' ' A' ' 25' ' ' PRO . 2.3 p80 -50.42 154.78 2.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.42 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 53.6 Cg_endo -69.75 175.61 7.87 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 66.58 39.87 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 28' ' ' TYR . 2.7 pm0 -94.61 -36.11 11.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 25.1 m-85 -130.77 164.2 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.25 128.94 46.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.574 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 17.5 m -93.75 115.32 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.9 120.72 13.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -80.82 -0.47 38.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 23.5 mt -90.98 -52.44 4.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.3 p -112.93 -37.62 4.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.5 28.93 4.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -104.98 141.59 36.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -76.55 136.37 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.8 t -134.07 96.14 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 85.5 p -67.64 162.86 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.496 ' C ' HG21 ' A' ' 44' ' ' VAL . 20.4 mtm105 -120.45 -70.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 88.3 -170.23 38.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 151.58 69.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.29 70.64 0.71 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.496 HG21 ' C ' ' A' ' 40' ' ' ARG . 83.9 t -122.39 -41.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -71.17 73.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.96 37.75 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -70.59 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.6 m -88.19 82.41 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.6 m -37.78 125.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.96 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.5 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 23.7 mt -58.38 -55.89 29.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 93.3 m95 -38.73 -52.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -45.9 -43.62 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -71.68 -37.66 70.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 59' ' ' HIS . 68.0 mt -64.07 -42.72 96.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 14.0 mttm -83.91 -9.08 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t -81.35 -42.09 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -124.68 -38.63 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 88.1 m-70 -89.3 23.3 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -40.05 57.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.92 -38.91 83.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.19 -49.54 77.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 76.6 mt -59.17 -54.94 41.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -55.82 -47.28 77.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -58.44 -53.63 56.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.5 p -60.68 172.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.89 52.25 3.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.585 ' CE1' ' OE2' ' A' ' 9' ' ' GLU . 67.3 m-70 -128.52 88.54 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.36 -84.9 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -109.95 145.37 37.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.2 t -116.15 42.25 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.62 84.5 0.1 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -45.33 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.37 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.6 p -119.28 42.97 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.0 t -147.07 144.19 28.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.504 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -56.62 145.44 28.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -144.58 129.97 18.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.58 87.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -117.57 146.27 43.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 7' ' ' GLY . 23.1 t -71.97 135.4 46.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' NE1' ' A' ' 52' ' ' TRP . . . 37.97 57.21 1.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.496 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.2 p -114.76 33.77 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' A' ' 68' ' ' HIS . 8.2 pt-20 -90.73 -15.02 30.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.963 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -60.35 -14.06 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.492 ' CZ3' HD11 ' A' ' 51' ' ' LEU . 53.2 m95 -61.24 -25.28 66.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.53 -12.88 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.4 m-85 -113.57 18.19 17.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.778 ' CD2' HD22 ' A' ' 51' ' ' LEU . 66.6 m-85 -149.92 152.02 34.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.575 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -140.77 129.18 22.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.497 HD13 ' OD1' ' A' ' 26' ' ' ASN . 59.2 mt -69.66 141.8 53.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.37 141.83 24.04 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.567 0.699 . . . . 0.0 111.121 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' ARG . 54.1 Cg_endo -69.75 153.91 68.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.747 ' HB2' ' HD3' ' A' ' 25' ' ' PRO . . . -59.91 76.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -111.64 -30.64 7.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.03 -50.82 15.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.22 -97.76 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -40.69 150.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -39.51 155.27 0.16 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.721 . . . . 0.0 110.821 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.747 ' HD3' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.74 -172.68 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.232 . . . . 0.0 112.346 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.497 ' OD1' HD13 ' A' ' 16' ' ' LEU . 30.4 m-80 62.2 43.77 8.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -114.23 -40.73 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 14.4 m-85 -128.23 152.59 47.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.57 130.75 56.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.575 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 25.9 m -94.01 109.27 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.0 t -60.55 117.14 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -78.37 1.61 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.467 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 14.8 mt -92.93 -52.31 4.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.15 -32.63 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.2 24.24 7.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -88.2 142.95 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.14 118.44 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.2 t -122.87 118.43 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 53.5 p -103.94 114.03 27.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.562 ' O ' HG23 ' A' ' 44' ' ' VAL . 9.1 ptm180 -65.39 -45.54 83.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.8 -173.58 7.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -11.76 31.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.25 23.08 8.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 40' ' ' ARG . 95.1 t -134.96 126.98 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.849 0.357 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' VAL . 7.7 m120 -139.26 166.46 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' ASN . 81.5 t -36.08 124.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.83 -79.98 0.21 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.8 m -133.24 88.68 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -44.09 124.52 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB2' HG21 ' A' ' 44' ' ' VAL . . . -37.25 -32.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 14' ' ' PHE . 24.0 mt -60.49 -47.45 86.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.963 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 95.3 m95 -48.86 -47.59 42.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -52.52 -36.54 55.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -76.13 -35.43 59.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' HIS . 84.4 mt -67.47 -50.16 60.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -76.52 -9.08 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.8 t -84.06 -38.75 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.3 ptp -128.66 -32.77 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' LEU . 96.0 m-70 -94.92 25.04 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -58.0 -30.84 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -79.01 -38.57 36.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -61.59 -56.28 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -45.11 -54.49 6.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -48.03 -48.1 33.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -48.25 -54.59 13.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -68.4 177.2 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.74 45.98 3.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.457 ' CE1' ' OE1' ' A' ' 9' ' ' GLU . 33.1 m-70 -117.9 114.05 22.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.74 -46.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -88.8 39.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 98.0 p -53.41 111.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.18 -176.36 16.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 84.58 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 t -40.35 -60.4 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -56.04 -51.24 68.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.446 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -102.07 88.53 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.381 . . . . 0.0 110.802 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -120.01 151.99 38.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.11 105.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.443 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -122.63 90.43 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -100.88 42.42 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 133.8 -102.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.9 p 38.76 30.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' GLY . 6.4 tp10 -92.24 -33.41 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.63 -27.35 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CH2' ' HD2' ' A' ' 40' ' ' ARG . 25.7 m95 -53.23 -29.03 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -58.14 -19.17 30.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.2 m-85 -106.18 18.61 21.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CD2' HD22 ' A' ' 51' ' ' LEU . 25.5 m-85 -150.01 156.55 41.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.587 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.04 123.54 13.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.507 HD13 ' OD1' ' A' ' 26' ' ' ASN . 84.7 mt -59.32 150.87 24.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.74 144.83 30.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.02 36.95 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.85 137.88 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -111.43 72.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 40.49 41.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.92 -110.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -58.26 169.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -74.69 156.45 86.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -6.33 18.35 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.507 ' OD1' HD13 ' A' ' 16' ' ' LEU . 33.4 m-80 -107.01 48.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.452 ' O ' ' NH2' ' A' ' 40' ' ' ARG . 5.0 tp60 -93.08 -60.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 19.7 m-85 -123.13 165.18 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -118.11 123.49 45.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.587 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 39.7 m -87.13 111.46 20.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.4 t -62.43 117.76 6.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -76.62 -3.85 39.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.598 HD12 ' CD2' ' A' ' 55' ' ' LEU . 23.4 mt -88.73 -54.91 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.46 -39.8 5.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.32 28.72 4.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -106.04 144.07 33.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -82.95 130.54 35.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.0 t -136.09 111.7 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.557 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 66.4 p -86.23 134.95 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.687 ' HG3' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -117.94 -31.6 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.438 ' O ' ' NH1' ' A' ' 40' ' ' ARG . . . 141.77 161.13 8.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.78 15.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.51 87.8 0.39 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.687 HG11 ' HG3' ' A' ' 40' ' ' ARG . 2.1 p -120.76 117.68 53.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -123.8 -66.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.79 174.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.63 173.53 41.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.8 m -71.85 79.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.622 HG23 HG21 ' A' ' 44' ' ' VAL . 2.9 m -40.53 123.39 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . . . -35.45 -39.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 14' ' ' PHE . 29.9 mt -50.63 -48.12 58.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.536 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 82.9 m95 -52.87 -50.01 64.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -49.63 -40.43 39.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -72.02 -43.0 65.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.598 ' CD2' HD12 ' A' ' 33' ' ' LEU . 33.9 mt -61.01 -49.35 77.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 2.4 mtpm? -75.23 -9.5 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 t -84.61 -42.07 15.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.7 ptp -123.33 -33.11 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 95.4 m-70 -95.56 26.3 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.791 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -54.44 -35.36 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.81 -41.75 64.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.31 -43.66 98.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 77.2 mt -63.05 -58.93 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -51.97 -45.63 64.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -49.53 -50.55 41.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 m -68.51 -57.54 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.96 43.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -126.39 92.7 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -126.38 -57.29 0.15 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -84.81 35.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -72.31 125.72 28.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.57 141.23 10.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -44.73 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -129.44 94.55 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.1 p -102.56 42.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.489 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -107.25 87.17 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 p -167.64 146.44 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.49 101.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 t -83.06 -59.81 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 7' ' ' GLY . 44.6 t 54.34 49.22 18.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.97 71.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.9 p -85.35 -17.04 37.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -46.72 -35.89 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.478 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.02 -37.49 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -52.93 -30.61 35.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -57.29 -20.28 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.626 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 25.1 m-85 -105.12 17.95 23.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 17.0 m-85 -151.79 159.45 43.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.573 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.66 127.21 16.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.452 HD13 ' OD1' ' A' ' 26' ' ' ASN . 89.7 mt -59.34 138.14 57.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.9 138.74 24.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 134.62 28.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . -87.15 -67.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.0 ptm180 33.87 38.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -126.23 -62.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.98 -39.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.22 157.42 22.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -55.51 152.78 16.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.88 17.85 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.734 2.289 . . . . 0.0 112.329 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.452 ' OD1' HD13 ' A' ' 16' ' ' LEU . 63.7 m-20 62.7 40.11 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -70.56 -72.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 39' ' ' SER . 3.0 m-85 -115.92 165.87 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -111.62 148.11 34.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.573 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 7.8 m -110.88 111.54 22.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -59.09 116.29 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -76.99 -2.83 35.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.623 HD12 ' CD2' ' A' ' 55' ' ' LEU . 19.3 mt -90.3 -54.34 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.2 p -108.17 -40.14 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.66 25.36 5.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -97.23 154.37 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 8.1 mp0 -84.78 128.16 34.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 67.5 t -134.44 110.12 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 8.8 t -81.84 154.32 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -52.49 -43.19 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 48.39 -175.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 157.14 61.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.55 61.51 7.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.77 -37.12 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' VAL . 6.6 p30 -84.97 -37.41 20.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 47' ' ' GLY . 7.4 p -35.05 -45.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.491 ' N ' HG13 ' A' ' 46' ' ' VAL . . . 169.94 -56.25 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.1 m -81.24 91.09 6.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.886 0.374 . . . . 0.0 111.155 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' TRP . 4.3 m -47.76 127.33 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.31 -37.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.592 HD22 ' CD2' ' A' ' 14' ' ' PHE . 20.5 mt -56.65 -47.6 79.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.478 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 86.8 m95 -48.4 -45.55 36.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 57' ' ' SER . 24.0 mttp -54.26 -35.3 62.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -78.95 -43.21 25.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.623 ' CD2' HD12 ' A' ' 33' ' ' LEU . 36.1 mt -60.79 -47.57 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -76.82 -9.46 58.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 12.3 t -83.78 -40.94 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.8 ptp -125.72 -34.12 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.8 m-70 -93.65 25.44 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -55.31 -35.24 64.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.64 -39.91 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.72 -50.83 71.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 55' ' ' LEU . 66.7 mt -54.53 -60.46 3.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -52.56 -42.64 64.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -55.18 -42.68 73.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -85.2 36.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.12 74.02 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -128.06 -46.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.11 -100.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.422 ' H ' ' CD ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -79.54 134.55 36.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.7 p -86.33 -38.17 17.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -141.7 150.65 22.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -5.3 15.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.4 m -75.99 127.12 32.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 m -63.27 -47.53 82.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.506 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.81 43.32 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -75.86 -52.61 9.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.64 82.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -128.78 101.08 5.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -104.51 80.4 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 38.53 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.4 p -101.16 -11.14 19.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.805 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -47.95 -34.85 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -50.57 -35.27 29.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -52.94 -31.76 42.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -56.85 -16.99 7.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.586 ' CD2' HD11 ' A' ' 33' ' ' LEU . 28.9 m-85 -108.69 19.22 19.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 79.3 m-85 -151.7 152.24 32.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.589 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -137.62 129.24 28.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.576 HD22 ' OD1' ' A' ' 26' ' ' ASN . 97.8 mt -64.83 141.17 58.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.89 144.9 28.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.728 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 155.7 65.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.41 97.36 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -110.33 -52.06 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.06 -55.54 11.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.95 -30.76 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' HIS . 36.8 m80 -78.18 153.13 32.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.815 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -37.63 155.59 0.1 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.644 0.735 . . . . 0.0 110.838 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 169.56 18.7 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.576 ' OD1' HD22 ' A' ' 16' ' ' LEU . 18.7 t-20 74.57 33.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -64.82 -72.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 3.1 m-85 -120.25 161.64 20.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -101.77 128.62 48.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.589 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 9.2 m -94.99 110.82 22.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.5 t -57.91 130.61 47.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -89.01 1.12 56.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 55' ' ' LEU . 54.1 mt -94.29 -47.2 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.5 p -121.85 -37.25 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.03 27.77 5.24 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -88.3 138.55 31.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -78.61 116.64 19.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 58.8 t -131.02 125.1 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 47.5 p -94.94 165.08 12.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -122.54 -47.76 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.98 -166.42 53.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 178.98 4.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.282 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.21 69.38 0.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.588 HG22 ' N ' ' A' ' 45' ' ' ASN . 14.6 p -131.56 164.78 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.588 ' N ' HG22 ' A' ' 44' ' ' VAL . 11.7 t-20 72.55 39.82 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.2 t -104.88 -41.06 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.25 -76.03 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' THR . 57.6 m -115.46 85.83 2.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.873 0.368 . . . . 0.0 111.157 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.8 m -37.75 128.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.48 -33.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 24.0 mt -57.38 -50.36 73.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.563 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 90.0 m95 -48.36 -52.29 22.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -43.45 -42.33 4.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.83 -47.88 57.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.625 ' CD2' HD12 ' A' ' 33' ' ' LEU . 25.9 mt -56.5 -45.01 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -78.98 -9.15 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.3 t -84.15 -37.88 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.1 ptp -128.82 -34.98 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.588 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.0 m-70 -93.12 24.99 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -54.85 -35.0 63.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 43.7 mt-10 -74.19 -39.47 63.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.65 -44.83 96.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 55' ' ' LEU . 76.5 mt -63.05 -58.1 8.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -52.85 -43.05 65.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 10.4 mmmt -52.63 -53.25 49.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.9 m -74.98 159.15 32.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' SER . . . -34.5 -42.81 0.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.45 ' H ' ' CD2' ' A' ' 68' ' ' HIS . 13.2 m-70 -55.42 100.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.829 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' GLN . . . -120.0 130.95 8.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' GLY . 28.2 pt20 34.91 42.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.4 m -47.16 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.82 -148.04 16.9 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.21 27.46 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.4 p -86.4 142.96 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 t -81.79 120.0 24.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.212 -0.771 . . . . 0.0 112.521 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.9 p -134.67 155.9 49.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -44.18 168.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 127.76 -39.67 1.88 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 4' ' ' GLY . 31.1 t -35.86 136.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.824 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 p -93.37 164.54 13.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.84 -85.92 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p 38.12 37.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -98.99 -31.43 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -52.65 -25.3 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -52.87 -32.0 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -56.98 -19.07 16.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.652 ' CD2' HD11 ' A' ' 33' ' ' LEU . 52.9 m-85 -104.5 17.33 24.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.493 ' CG ' HD22 ' A' ' 51' ' ' LEU . 96.8 m-85 -150.22 156.74 42.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.578 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -142.26 130.74 22.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -68.23 144.68 54.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.0 152.68 43.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.556 0.693 . . . . 0.0 111.135 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 135.16 29.6 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.92 144.67 34.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -96.73 -53.17 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.84 172.93 12.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 23' ' ' HIS . . . -41.08 -37.95 1.62 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.545 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' GLY . 18.0 m170 -37.18 109.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -49.96 154.93 1.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 110.884 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.13 2.92 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.372 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.54 40.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -84.62 -70.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.547 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 46.6 m-85 -126.54 146.92 49.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.46 125.93 51.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.578 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 29.6 m -90.58 111.04 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 10.2 t -60.64 127.31 31.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -86.59 0.73 53.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.652 HD11 ' CD2' ' A' ' 13' ' ' TYR . 61.5 mt -93.27 -49.28 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.23 -38.46 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.69 31.64 3.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -103.19 139.66 38.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 14.9 mp0 -77.85 127.98 33.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.566 HG12 ' NH2' ' A' ' 40' ' ' ARG . 62.2 t -135.41 118.43 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.547 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 34.4 p -84.97 165.57 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.706 ' HB3' HG11 ' A' ' 44' ' ' VAL . 12.3 mmp_? -84.87 -47.05 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.29 176.59 41.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.525 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 104.62 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.264 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.83 73.24 1.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 40' ' ' ARG . 2.8 p -116.61 -7.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -101.31 -32.18 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -37.1 -32.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' THR . . . -178.85 -136.26 2.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' GLY . 22.6 m -33.9 105.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 111.154 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.8 m -58.93 126.31 27.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.497 ' H ' HG23 ' A' ' 44' ' ' VAL . . . -34.86 -33.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.493 HD22 ' CG ' ' A' ' 14' ' ' PHE . 15.0 mt -56.62 -49.26 75.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.503 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 96.6 m95 -53.9 -53.46 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -40.05 -42.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -72.35 -45.03 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' HIS . 57.4 mt -57.93 -45.18 86.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -79.03 -9.51 59.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 t -83.01 -38.68 22.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.4 ptp -129.13 -36.31 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.591 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.0 m-70 -90.31 18.58 5.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.75 -36.59 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -76.69 -40.29 49.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' OE1' HD22 ' A' ' 33' ' ' LEU . 5.1 tt0 -57.44 -46.58 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 75.9 mt -58.79 -53.06 62.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -44.23 -47.33 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -56.74 -45.4 82.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.2 m -64.64 -56.85 11.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.17 43.45 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -121.77 82.6 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.95 -53.33 34.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -130.5 -51.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t 69.68 42.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.14 -116.71 0.94 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.19 18.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -103.85 -59.22 1.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.4 m -79.9 84.12 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.493 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -171.64 126.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 p -63.35 91.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.47 126.06 29.86 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -77.05 164.98 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -99.76 146.83 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.08 54.67 2.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 p -86.37 35.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -82.4 -37.49 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.601 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.95 -30.63 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -53.49 -29.27 35.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -58.02 -18.99 27.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.599 ' CD2' HD11 ' A' ' 33' ' ' LEU . 49.9 m-85 -105.61 18.29 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 35.9 m-85 -151.09 159.33 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.87 127.94 17.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.93 145.01 56.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -91.94 158.89 39.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 111.062 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.5 Cg_endo -69.8 144.68 54.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.682 ' HB2' HE22 ' A' ' 27' ' ' GLN . . . -121.29 167.09 13.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 10.6 ptm180 -103.03 150.73 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -33.93 106.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.63 -73.2 0.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -83.44 141.9 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.472 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 4.0 p80 -77.67 158.41 78.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.576 0.703 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.79 2.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -96.31 44.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.682 HE22 ' HB2' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -98.6 -34.69 10.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 68.0 m-85 -155.65 161.75 40.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.61 135.28 53.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.582 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 10.6 m -102.05 111.47 23.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.05 126.02 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -84.15 1.28 45.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 13' ' ' TYR . 94.7 mt -94.07 -50.99 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.59 -36.35 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.66 25.05 6.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' NH1' ' HA ' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -90.39 136.37 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -79.23 123.97 27.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.1 t -126.31 110.63 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.58 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 92.3 p -87.11 138.99 31.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.688 ' O ' HG21 ' A' ' 44' ' ' VAL . 10.8 ptm180 -110.23 -41.42 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 40' ' ' ARG . . . 112.42 164.02 16.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -50.33 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.75 84.47 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.688 HG21 ' O ' ' A' ' 40' ' ' ARG . 92.0 t -126.79 101.48 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -119.22 81.86 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -130.98 172.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.88 -37.54 15.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.2 m -102.95 97.36 7.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.4 m -51.12 128.5 21.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.52 -34.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 14' ' ' PHE . 17.7 mt -58.55 -53.13 61.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.601 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 87.6 m95 -40.04 -52.32 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.91 -42.88 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -69.71 -41.24 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.52 ' HB3' HD21 ' A' ' 63' ' ' LEU . 44.4 mt -62.33 -47.3 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -76.83 -9.47 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.0 t -82.98 -42.41 17.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.8 ptp -124.31 -34.15 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.9 m-70 -93.97 24.94 3.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -53.08 -33.08 50.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -76.12 -45.8 32.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.21 -51.71 65.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 55' ' ' LEU . 84.4 mt -52.0 -63.2 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -45.98 -45.33 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -52.17 -46.14 65.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.9 m -88.75 16.78 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.07 68.37 1.72 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -124.24 82.18 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -131.66 -39.38 0.24 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -41.16 -28.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.1 p -80.03 60.33 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -165.25 61.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 103.53 1.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.36 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.9 m -162.01 159.95 27.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.2 t -56.83 108.26 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -63.55 86.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -94.99 152.36 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.95 -40.96 0.61 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -74.28 81.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -125.78 162.91 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.8 62.4 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -98.05 39.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -85.78 -32.83 21.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.646 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -51.8 -25.44 7.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.546 ' CD2' HD11 ' A' ' 51' ' ' LEU . 33.2 m95 -52.55 -28.33 20.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -56.67 -22.74 36.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' CD1' HD11 ' A' ' 33' ' ' LEU . 37.9 m-85 -101.66 16.8 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.663 ' CG ' HD22 ' A' ' 51' ' ' LEU . 93.3 m-85 -146.58 157.33 43.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.593 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.12 125.14 14.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.9 mt -63.22 152.64 36.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.77 148.27 36.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.533 0.683 . . . . 0.0 111.131 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 157.86 59.02 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.16 120.52 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -92.31 -47.82 6.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.73 150.38 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.86 -56.4 0.49 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.52 157.52 37.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.55 153.24 62.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 3.2 2.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -101.25 31.67 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -67.98 -70.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 39' ' ' SER . 3.5 m-85 -125.64 166.4 16.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.45 128.47 56.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.593 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 20.8 m -92.44 114.63 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 6.6 t -64.07 116.25 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.98 -4.71 45.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 17.0 mt -86.95 -54.55 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.34 -41.2 5.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.01 29.32 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -99.77 158.61 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -90.63 123.89 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -135.51 121.35 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.559 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 7.5 t -106.01 130.44 53.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mtp-105 -59.92 -64.86 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.51 163.61 11.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -1.56 8.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -178.5 69.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.5 t -92.44 119.8 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -53.87 159.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.2 t -79.15 85.92 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.79 -113.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.7 m -70.84 76.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 111.135 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.7 m -45.99 125.7 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.1 -37.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.663 HD22 ' CG ' ' A' ' 14' ' ' PHE . 24.0 mt -52.25 -55.01 24.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.646 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 88.3 m95 -48.63 -52.8 21.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -46.69 -43.37 17.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -69.96 -36.98 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' A' ' 63' ' ' LEU . 65.5 mt -65.66 -46.36 79.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -77.16 -9.56 58.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -84.28 -43.43 14.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.4 ptp -122.09 -36.39 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.3 m-70 -90.97 23.48 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -52.67 -38.05 59.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -70.53 -40.88 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.7 -45.56 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' A' ' 55' ' ' LEU . 66.7 mt -64.19 -54.52 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.15 -44.03 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.91 -44.21 85.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.2 m -64.0 174.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' HIS . . . -68.02 -42.1 85.76 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' GLY . 33.1 m-70 -35.58 149.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.85 -38.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.82 76.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 72' ' ' GLY . 17.5 t -124.46 78.93 1.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 71' ' ' SER . . . 34.37 62.72 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 166.67 26.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.7 p -156.47 148.48 23.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.3 t -104.28 84.29 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.54 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -105.35 146.92 28.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -67.94 81.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.82 159.12 32.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -109.69 84.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' GLY . 16.6 t -162.36 112.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.67 -100.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.5 p 42.83 27.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -91.07 -35.08 14.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -49.32 -29.82 6.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -52.76 -30.31 32.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -56.82 -21.6 30.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 27.8 m-85 -103.77 18.18 22.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD2' HD22 ' A' ' 51' ' ' LEU . 50.8 m-85 -150.94 156.87 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.585 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -137.42 129.81 29.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.8 mt -71.27 146.81 48.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -91.94 155.39 43.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.561 0.696 . . . . 0.0 111.111 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.9 Cg_endo -69.74 141.41 45.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.87 113.66 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -109.66 -48.3 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.71 37.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' HIS . . . 75.07 -62.69 2.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' GLY . 5.9 m170 -35.74 137.09 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.462 ' CD2' ' N ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -40.97 154.14 0.22 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -2.56 10.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -88.81 42.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -80.31 -74.91 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 39' ' ' SER . 3.4 m-85 -118.45 173.91 6.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.23 124.24 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.585 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 29.8 m -88.93 118.03 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.44 119.66 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -80.71 0.19 35.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 20.7 mt -92.02 -51.26 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.7 p -114.09 -37.65 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.37 26.6 5.35 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.431 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -98.45 142.99 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.462 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 16.1 mp0 -81.57 127.74 33.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.8 t -134.14 111.82 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 57.0 p -95.64 147.3 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.8 mtm-85 -93.23 -54.65 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.45 179.74 20.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.5 68.47 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.3 p -46.99 135.31 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -70.32 148.55 48.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.6 t -79.41 89.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.71 -114.13 0.45 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.0 m -79.93 83.19 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.866 0.365 . . . . 0.0 111.149 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.42 127.1 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.27 -37.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.518 HD22 ' CD2' ' A' ' 14' ' ' PHE . 23.0 mt -54.62 -49.73 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.576 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 82.3 m95 -48.2 -48.07 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -50.89 -38.63 50.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -74.45 -42.37 59.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 59' ' ' HIS . 37.8 mt -61.25 -50.05 74.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -74.24 -9.37 58.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 t -83.44 -41.32 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.6 ptp -126.08 -33.96 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.588 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 91.4 m-70 -95.07 26.34 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.4 ttm105 -54.94 -32.83 61.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -76.13 -44.58 37.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.08 -47.86 74.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.5 mt -54.93 -57.79 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -46.67 -48.87 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -52.15 -36.01 50.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -85.41 32.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.93 50.13 27.62 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -114.53 106.01 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.796 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.27 136.46 7.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 62.37 35.89 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.6 m -83.24 36.98 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.55 132.23 1.42 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.62 16.64 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.6 p -88.16 45.95 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.3 t -106.18 41.03 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.478 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 m -104.87 109.01 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.868 0.365 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -96.22 -47.11 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.54 -165.78 51.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -69.21 148.95 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.842 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -143.3 167.02 23.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.74 84.49 0.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.9 p -94.07 22.36 5.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -69.92 -36.23 75.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.494 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -49.36 -36.33 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -54.01 -29.22 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.86 -8.68 5.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 31.6 m-85 -117.42 18.85 14.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.641 ' CD2' HD22 ' A' ' 51' ' ' LEU . 35.9 m-85 -152.29 155.89 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.58 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -142.29 127.1 18.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.62 141.51 58.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.65 142.87 26.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 146.73 61.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.36 157.92 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 10.3 ptp85 -112.12 -44.89 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 20' ' ' ARG . . . -80.86 176.32 9.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.6 -36.92 2.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -44.42 121.07 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -48.28 157.5 0.67 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.0 3.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.313 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -109.45 79.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -104.8 -71.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 2.8 m-85 -121.72 168.39 11.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.69 122.43 46.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.58 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 43.1 m -88.01 111.53 21.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.38 120.51 10.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -82.72 -0.2 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 16.5 mt -93.51 -49.4 5.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -112.53 -37.87 4.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.6 26.14 6.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -101.1 145.5 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -86.99 127.85 35.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.5 t -133.23 122.95 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.545 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 34.8 p -79.32 153.79 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.8 ' HD2' HG21 ' A' ' 44' ' ' VAL . 65.5 mtm-85 -74.31 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.98 170.09 43.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 97.85 0.66 Allowed 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.36 47.66 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.916 HG13 ' OD1' ' A' ' 45' ' ' ASN . 8.2 p -103.55 164.52 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 111.102 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.916 ' OD1' HG13 ' A' ' 44' ' ' VAL . 2.4 p-10 45.97 43.03 10.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 44' ' ' VAL . 74.6 t -125.19 -40.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.56 -56.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' THR . 26.1 m -131.33 85.96 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 111.195 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -37.88 125.32 1.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HA ' ' CE ' ' A' ' 53' ' ' LYS . . . -39.63 -32.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.641 HD22 ' CD2' ' A' ' 14' ' ' PHE . 16.4 mt -63.07 -43.55 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.494 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 70.9 m95 -50.93 -41.18 58.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -60.52 -28.88 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -86.43 -34.03 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.583 ' CD2' HD12 ' A' ' 33' ' ' LEU . 50.3 mt -69.16 -47.53 64.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -77.55 -9.89 59.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -86.13 -39.69 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 2.8 ptp -122.86 -36.13 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.6 m-70 -94.64 26.1 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -52.81 -38.1 60.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -70.0 -43.13 72.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.6 -30.93 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 55' ' ' LEU . 81.3 mt -77.35 -60.79 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -53.42 -52.01 60.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 66' ' ' SER . 9.7 pttp -45.22 -31.62 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 6.3 t -89.44 -53.88 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.58 32.47 0.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -116.48 36.76 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.92 -59.44 4.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -99.14 74.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t -87.1 -49.31 7.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.81 168.73 32.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 146.99 62.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.7 m -110.52 114.51 27.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.9 m -96.51 90.02 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.49 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -122.22 -53.37 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -74.05 157.69 35.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.2 138.72 6.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -96.53 75.93 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.823 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 m 60.0 43.82 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.03 -105.45 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m 39.71 35.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -91.92 -25.21 19.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.648 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -58.04 -20.97 43.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -51.05 -28.26 9.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.667 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 15.4 pt-20 -54.89 -27.07 39.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.667 ' CE1' ' CG ' ' A' ' 12' ' ' GLU . 26.6 m-85 -99.7 19.08 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 85.6 m-85 -148.1 157.69 43.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.585 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -141.52 129.23 21.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 26' ' ' ASN . 35.5 mt -64.83 146.37 54.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.86 136.62 26.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.1 66.75 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.649 2.232 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.62 96.17 10.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.056 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -69.56 70.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 38.19 43.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.82 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -58.75 112.25 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 56.8 t-80 -42.51 140.71 1.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 53.3 Cg_endo -69.8 178.42 4.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.453 ' HA ' HD22 ' A' ' 16' ' ' LEU . 5.1 m120 49.48 37.65 12.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -91.25 -70.98 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 3.1 m-85 -115.97 162.47 17.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.4 140.18 48.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.585 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 21.2 m -103.44 117.1 33.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.9 t -63.74 121.87 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.482 ' NE ' ' HB3' ' A' ' 15' ' ' HIS . 81.5 mtt-85 -81.72 -3.91 54.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.639 HD11 ' CD2' ' A' ' 13' ' ' TYR . 54.4 mt -89.77 -53.93 4.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -106.33 -42.46 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.29 25.97 5.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -94.44 173.75 7.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -108.93 126.59 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.0 t -135.23 111.75 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 54.2 p -89.59 153.46 20.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.422 ' HB2' HG11 ' A' ' 44' ' ' VAL . 9.6 ptm180 -110.79 -46.66 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 40' ' ' ARG . . . 115.64 168.29 15.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -0.35 6.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.582 ' O ' HG12 ' A' ' 44' ' ' VAL . . . -141.9 -69.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 43' ' ' GLY . 7.2 p 44.55 31.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -82.65 79.54 9.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.499 HG23 ' N ' ' A' ' 47' ' ' GLY . 35.6 m -127.69 -45.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.499 ' N ' HG23 ' A' ' 46' ' ' VAL . . . 149.7 -67.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' THR . 42.2 m -82.4 86.55 6.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 3.0 m -36.5 129.55 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.47 -36.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 20.7 mt -56.89 -54.58 44.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.648 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 86.4 m95 -46.72 -53.99 10.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -45.79 -44.07 13.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -68.08 -43.81 77.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.589 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 49.8 mt -60.59 -47.57 85.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -75.9 -9.72 58.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.6 t -84.28 -39.68 18.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.3 ptp -126.97 -34.75 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' A' ' 55' ' ' LEU . 96.3 m-70 -92.87 20.19 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -47.88 -36.87 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.69 -47.04 56.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -56.05 -32.26 63.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.431 HD11 ' CB ' ' A' ' 55' ' ' LEU . 70.3 mt -76.42 -55.17 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.69 -51.96 65.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 66' ' ' SER . 41.1 pttt -47.64 -32.22 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.1 t -90.07 -69.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.96 35.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -121.19 39.63 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.69 -57.19 2.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.539 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -88.19 81.53 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.1 p -104.13 -44.54 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.41 126.5 19.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -47.5 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.7 t -78.68 151.01 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 m -123.3 86.93 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.082 -0.844 . . . . 0.0 112.509 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p 42.56 42.13 2.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -74.9 110.98 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.4 -120.8 0.42 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -105.29 42.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 p -109.08 91.2 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.15 -27.89 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.5 p -83.73 35.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -82.55 -38.71 23.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.33 -33.36 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CD2' HD11 ' A' ' 51' ' ' LEU . 32.7 m95 -52.81 -32.5 44.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -57.03 -14.61 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CD2' HD11 ' A' ' 33' ' ' LEU . 36.8 m-85 -110.15 19.09 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 51' ' ' LEU . 98.1 m-85 -149.36 154.15 38.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.586 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -138.51 129.99 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.45 148.78 47.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.96 143.94 28.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.56 67.68 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.96 140.0 52.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -129.08 -55.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.65 -44.66 47.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.88 89.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' HIS . 13.3 p80 -174.59 124.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.581 ' CD2' ' HD2' ' A' ' 25' ' ' PRO . 1.8 t-80 -38.15 139.61 0.63 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.525 0.678 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.581 ' HD2' ' CD2' ' A' ' 24' ' ' HIS . 54.2 Cg_endo -69.74 2.98 3.03 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.414 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -100.66 38.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -81.97 -60.75 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 9.8 m-85 -139.38 153.96 47.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.62 130.34 56.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.586 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 27.8 m -94.53 116.78 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 8.6 t -63.73 126.07 26.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -86.85 -0.9 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 13' ' ' TYR . 31.1 mt -91.86 -48.1 6.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.6 p -118.84 -39.55 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 37' ' ' GLN . . . 111.6 23.17 5.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -89.52 142.57 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.763 0.316 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 6.0 mp0 -85.1 122.82 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.32 116.12 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 90.1 p -100.94 161.81 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' HB3' HG21 ' A' ' 44' ' ' VAL . 40.7 mtp85 -97.81 -48.86 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.3 -177.21 23.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.76 145.19 56.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . 34.04 87.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.406 HG21 ' HB3' ' A' ' 40' ' ' ARG . 95.6 t -120.37 143.57 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.104 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -175.06 116.24 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.727 HG22 ' H ' ' A' ' 48' ' ' THR . 5.7 p -168.15 137.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.77 -33.27 4.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.727 ' H ' HG22 ' A' ' 46' ' ' VAL . 91.8 m -96.31 90.36 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 111.14 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 51' ' ' LEU . 15.1 m -44.85 124.72 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.94 -33.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 23.9 mt -57.74 -56.89 16.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -38.6 -54.76 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HE3' ' CG2' ' A' ' 48' ' ' THR . 1.4 mptm? -39.85 -46.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -69.65 -45.72 67.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 59' ' ' HIS . 71.6 mt -56.48 -47.37 79.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 18.4 mttm -78.12 -9.34 59.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 40.9 t -81.98 -41.61 20.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.2 ptp -127.1 -33.99 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.487 ' C ' ' O ' ' A' ' 55' ' ' LEU . 85.8 m-70 -92.94 24.39 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' CZ ' ' OE2' ' A' ' 64' ' ' GLU . 72.3 ttt-85 -53.05 -39.09 62.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -69.91 -38.82 76.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.68 -40.82 93.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.497 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 74.1 mt -69.47 -54.41 14.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' OE2' ' CZ ' ' A' ' 60' ' ' ARG . 24.3 mt-10 -53.41 -41.01 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 65' ' ' LYS . 1.4 tmmm? -74.23 -55.03 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.6 p -44.41 -42.37 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.69 54.29 2.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -91.63 45.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.87 -179.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -78.75 64.38 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.936 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -81.85 44.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 164.01 140.8 2.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.1 22.68 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -42.23 142.37 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -162.1 173.51 14.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.467 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 m -98.94 92.13 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 m -159.82 115.2 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.71 -117.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -123.15 175.42 6.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.1 t -150.0 127.28 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.85 45.9 40.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -85.57 37.37 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' HG2' ' CE1' ' A' ' 68' ' ' HIS . 5.5 tp10 -80.01 -33.86 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.61 -30.03 12.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CD2' HD11 ' A' ' 51' ' ' LEU . 41.3 m95 -53.35 -29.97 36.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.82 -11.63 3.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CD2' HD11 ' A' ' 33' ' ' LEU . 44.9 m-85 -112.93 18.45 18.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 88.9 m-85 -150.59 156.19 40.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.577 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -144.03 127.8 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.734 HD22 ' HA ' ' A' ' 26' ' ' ASN . 47.2 mt -72.39 134.12 45.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.95 152.02 42.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 150.32 68.23 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.56 92.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -106.71 118.88 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 44.4 43.0 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.91 -166.85 20.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -70.4 173.05 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.409 ' ND1' ' C ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -41.41 157.6 0.2 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.54 0.686 . . . . 0.0 110.916 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -171.68 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.649 2.232 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.734 ' HA ' HD22 ' A' ' 16' ' ' LEU . 2.4 m120 59.46 40.57 20.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -109.22 -40.31 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 39' ' ' SER . 37.3 m-85 -124.28 143.18 50.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.55 122.92 47.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.577 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 21.7 m -90.27 110.99 22.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 7.4 t -61.71 122.71 16.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -83.05 1.06 42.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.544 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 29.8 mt -93.4 -50.48 5.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -112.8 -37.48 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.15 29.29 4.91 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -104.71 146.15 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -86.51 131.21 34.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.65 98.92 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 69.5 p -58.81 114.85 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' CD ' HG11 ' A' ' 44' ' ' VAL . 12.7 ttp-105 -54.39 -60.62 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.33 -162.75 13.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' VAL . 53.7 Cg_endo -69.78 -163.72 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . -34.2 93.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 44' ' ' VAL . 10.0 p -102.51 37.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 111.113 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -89.5 73.24 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -134.77 147.97 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.3 -33.71 2.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.8 m -103.74 84.74 2.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 111.171 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.9 m -50.68 129.93 23.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -36.16 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 11' ' ' TRP . 16.0 mt -62.72 -54.94 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -40.82 -54.64 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -39.41 -43.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -73.14 -44.39 60.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.673 ' CB ' HD11 ' A' ' 63' ' ' LEU . 66.3 mt -59.08 -34.16 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -92.31 -8.84 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -83.11 -37.5 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.502 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -128.7 -39.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.0 m-70 -88.83 22.42 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -49.14 -39.49 28.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -71.66 -41.17 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -56.79 -51.12 70.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.673 HD11 ' CB ' ' A' ' 55' ' ' LEU . 89.7 mt -59.66 -62.27 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -39.21 -47.74 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -50.17 -53.13 29.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -75.75 -175.54 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.29 46.18 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.451 ' CE1' ' HG2' ' A' ' 9' ' ' GLU . 69.7 m-70 -126.63 39.21 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.7 7.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -131.61 131.85 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -125.21 41.24 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 73' ' ' PRO . . . 158.3 109.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 72' ' ' GLY . 53.9 Cg_endo -69.74 101.09 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -169.66 112.44 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -52.83 111.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.478 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -91.53 42.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -49.98 -44.68 50.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.82 -151.69 7.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.523 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -112.58 41.5 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t 63.68 41.12 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.37 38.47 1.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.0 p -87.76 37.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.8 -48.51 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.52 ' HB1' ' CD1' ' A' ' 55' ' ' LEU . . . -48.14 -27.22 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -53.05 -32.34 46.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.99 -16.84 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.468 ' HB2' HD21 ' A' ' 55' ' ' LEU . 32.0 m-85 -108.19 18.58 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CG ' HD22 ' A' ' 51' ' ' LEU . 98.1 m-85 -152.28 155.54 37.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.579 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -144.15 128.59 17.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 26' ' ' ASN . 72.7 mt -69.01 141.3 54.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.3 151.9 37.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.101 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 141.63 45.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HB2' ' CA ' ' A' ' 25' ' ' PRO . . . -78.46 96.47 5.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.063 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -107.39 -44.06 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.63 -53.16 25.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.92 -72.3 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.51 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -46.95 146.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.33 158.31 0.77 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.457 ' CA ' ' HB2' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.72 -168.06 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.528 ' HA ' HD22 ' A' ' 16' ' ' LEU . 1.9 m-80 59.04 41.35 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -106.14 -44.37 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 34.3 m-85 -129.05 150.03 50.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.46 126.34 55.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.579 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 30.6 m -87.58 112.38 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.456 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 9.8 t -64.09 128.49 36.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -84.75 -7.08 59.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.587 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.1 mt -84.43 -55.88 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -105.55 -43.54 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.74 31.76 2.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -110.45 143.89 40.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -82.43 127.77 33.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -126.02 103.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 20.6 p -73.71 142.67 46.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -51.38 -60.6 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.48 -178.82 16.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -46.15 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.14 52.57 0.6 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.744 HG21 ' HB2' ' A' ' 50' ' ' ALA . 14.4 p -54.64 143.59 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.172 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -75.7 122.89 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.67 -51.14 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.11 -72.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -86.86 86.54 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.15 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.4 m -45.19 126.28 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.744 ' HB2' HG21 ' A' ' 44' ' ' VAL . . . -35.41 -36.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.053 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.572 HD22 ' CG ' ' A' ' 14' ' ' PHE . 25.6 mt -55.69 -53.58 54.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 93.5 m95 -46.26 -53.48 10.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -40.07 -43.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -74.38 -41.06 61.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.522 ' HB3' HD21 ' A' ' 63' ' ' LEU . 56.8 mt -60.96 -33.6 73.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -92.3 -8.55 44.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -82.82 -41.58 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.502 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.6 ptp -125.24 -37.45 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.587 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 89.7 m-70 -90.42 24.23 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -54.66 -34.33 62.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -76.34 -40.86 50.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.13 -42.15 94.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 55' ' ' LEU . 76.5 mt -59.94 -58.91 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.46 -43.11 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -53.82 -49.08 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.22 35.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' HIS . . . 58.12 -92.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' GLY . 28.2 m-70 34.55 39.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.91 -51.81 42.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -98.15 78.1 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.946 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.0 p -97.26 41.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.96 172.71 22.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.28 19.0 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 t -133.74 120.72 20.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 t -81.88 44.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.48 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -117.31 -59.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -77.51 172.99 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.4 58.86 3.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -119.61 94.07 4.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -78.23 53.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.05 49.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 p -80.86 42.44 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -92.62 -34.49 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.639 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -54.05 -26.98 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -53.85 -26.37 24.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -59.82 -20.1 54.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.673 ' CD2' HD11 ' A' ' 33' ' ' LEU . 36.9 m-85 -107.25 19.22 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.658 ' CG ' HD22 ' A' ' 51' ' ' LEU . 95.4 m-85 -150.98 157.43 42.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.58 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -143.91 128.76 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 26' ' ' ASN . 57.5 mt -69.08 137.41 53.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.93 143.97 28.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.07 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 160.77 48.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.25 111.85 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.2 -18.02 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.84 -48.89 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.62 -53.14 0.44 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' HIS . 2.0 t-80 -48.94 137.93 12.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -36.47 155.16 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.707 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 174.21 9.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.462 ' HA ' HD22 ' A' ' 16' ' ' LEU . 5.0 m-20 63.7 44.12 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -94.77 -40.19 9.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 24.3 m-85 -138.7 148.89 44.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.61 132.73 50.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.58 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 11.4 m -96.59 110.6 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 9.0 t -58.22 121.43 10.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -82.27 3.79 26.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.673 HD11 ' CD2' ' A' ' 13' ' ' TYR . 30.3 mt -96.86 -47.09 5.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -123.45 -33.95 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.91 18.48 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -78.85 140.03 38.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -85.69 112.15 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.5 t -114.42 119.52 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 60.5 p -100.06 119.04 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.773 ' HB3' HG11 ' A' ' 44' ' ' VAL . 67.1 mtm180 -48.43 -71.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.54 -175.08 22.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.18 77.96 1.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.773 HG11 ' HB3' ' A' ' 40' ' ' ARG . 16.1 m -125.14 -6.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -94.14 48.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.8 m -110.06 -10.58 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.54 -48.72 0.95 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 m -90.87 99.55 12.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' ALA . 3.4 m -58.09 125.61 23.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.94 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.658 HD22 ' CG ' ' A' ' 14' ' ' PHE . 33.7 mt -55.73 -49.03 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.639 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 95.8 m95 -53.93 -50.22 66.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -46.47 -42.18 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -73.01 -41.71 63.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.52 ' CB ' HD11 ' A' ' 63' ' ' LEU . 59.1 mt -59.57 -48.69 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 30.0 mttt -76.96 -9.67 58.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -82.7 -38.97 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.2 ptp -127.67 -33.09 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.593 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.2 m-70 -96.21 26.61 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -53.43 -32.68 50.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.38 -46.91 37.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -54.19 -56.12 21.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.52 HD11 ' CB ' ' A' ' 55' ' ' LEU . 91.8 mt -49.65 -58.95 4.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.56 -39.8 71.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.67 -47.28 82.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 m -70.71 -175.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.99 44.87 3.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -107.4 81.57 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.93 115.94 5.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 51.26 42.96 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.3 t -51.36 106.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.24 71.35 1.32 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -42.19 3.67 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.396 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.6 p -83.66 45.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 m -131.96 -47.99 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.53 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -65.42 176.28 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -98.0 140.73 31.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.07 -71.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.5 p -40.78 129.56 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.819 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -107.23 41.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.39 54.55 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 p -94.33 39.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.825 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -89.79 -41.88 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.497 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -47.83 -26.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -52.41 -32.77 40.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -56.37 -20.03 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CD2' HD11 ' A' ' 33' ' ' LEU . 28.0 m-85 -104.7 18.49 22.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.689 ' CG ' HD22 ' A' ' 51' ' ' LEU . 87.4 m-85 -150.78 146.64 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.593 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -133.61 122.44 23.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.725 HD13 ' CG ' ' A' ' 26' ' ' ASN . 20.8 mt -67.01 142.96 57.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -100.37 155.59 36.21 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.5 Cg_endo -69.76 135.89 31.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.55 120.8 36.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -127.01 -32.54 2.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.21 -45.99 17.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.6 21.07 0.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -114.69 167.3 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.546 ' CE1' ' O ' ' A' ' 25' ' ' PRO . 11.1 t-80 -43.4 134.55 3.42 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.616 0.722 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.546 ' O ' ' CE1' ' A' ' 24' ' ' HIS . 53.8 Cg_endo -69.75 149.18 66.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.725 ' CG ' HD13 ' A' ' 16' ' ' LEU . 71.4 m-20 58.49 47.66 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HG3' ' CD2' ' A' ' 28' ' ' TYR . 5.4 pt20 -84.69 -45.8 12.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 51.4 m-85 -106.66 156.09 18.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -122.11 136.93 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.593 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 12.2 m -101.74 109.84 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.5 t -58.16 120.53 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -79.37 -2.97 44.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.658 HD12 ' CD2' ' A' ' 55' ' ' LEU . 34.4 mt -89.71 -51.66 5.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -112.52 -40.87 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.22 29.33 4.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -103.35 139.97 38.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.416 ' CD ' ' H ' ' A' ' 37' ' ' GLN . 12.7 mp0 -73.39 130.67 40.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.0 t -132.32 110.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.458 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 85.8 p -78.38 152.83 32.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -88.69 -45.9 9.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.0 164.52 8.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 82.35 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.365 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.67 43.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 44' ' ' VAL . 7.9 p -111.14 33.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 46' ' ' VAL . 8.6 t-20 -116.45 -34.48 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' ASN . 92.7 t -33.76 -43.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.74 -73.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.1 m -59.28 87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 111.137 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.8 m -54.8 126.62 24.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -34.88 -38.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.689 HD22 ' CG ' ' A' ' 14' ' ' PHE . 21.7 mt -55.41 -53.41 56.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.497 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 80.2 m95 -48.34 -52.27 22.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -46.6 -41.93 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -72.15 -44.08 63.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.658 ' CD2' HD12 ' A' ' 33' ' ' LEU . 39.9 mt -59.0 -47.58 84.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.491 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 2.0 mtpm? -77.65 -9.62 59.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.7 t -82.66 -42.25 18.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.49 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 5.9 ptp -124.75 -35.4 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.946 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 93.3 m-70 -92.0 22.98 3.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -51.79 -37.67 52.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -70.26 -40.02 74.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.91 -49.93 74.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 55' ' ' LEU . 70.4 mt -55.48 -53.94 50.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -50.51 -48.51 56.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -49.41 -47.05 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -84.69 32.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.98 45.7 9.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -112.74 -63.59 1.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 45.08 -110.56 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -91.27 43.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.3 m -39.0 102.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.67 -156.0 25.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.33 24.75 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -54.26 149.8 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.4 p -66.08 116.86 7.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.471 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -72.32 127.41 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 4' ' ' GLY . 33.9 t -126.64 117.25 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.05 150.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.512 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 m -141.16 131.0 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 t -125.73 125.88 43.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . -154.9 -83.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.1 t 35.29 32.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 7' ' ' GLY . 21.6 tt0 -89.42 -25.1 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -54.66 -21.82 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.434 ' CD2' HD11 ' A' ' 51' ' ' LEU . 34.4 m95 -53.25 -26.33 17.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -59.86 -20.54 57.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.453 ' CD2' HD11 ' A' ' 33' ' ' LEU . 26.2 m-85 -104.65 18.07 22.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.879 ' CG ' HD22 ' A' ' 51' ' ' LEU . 77.0 m-85 -150.79 152.92 34.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -140.92 122.08 14.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.8 mt -64.26 142.14 58.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.02 143.01 25.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 111.084 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.56 68.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.38 117.19 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -87.72 34.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.7 173.46 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.04 -42.44 87.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.437 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -39.78 134.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 2.2 t-80 -43.69 140.76 2.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.634 0.73 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 54.6 Cg_endo -69.72 -27.04 27.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.393 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.52 69.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -95.93 -48.9 5.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 39' ' ' SER . 34.7 m-85 -132.28 169.05 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.66 141.02 52.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.582 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 15.6 m -102.41 110.88 22.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 4.0 t -62.02 112.03 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 15.4 mtp-105 -71.53 -4.44 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 16.9 mt -87.95 -55.67 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -109.09 -35.46 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.93 28.91 6.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -99.29 145.8 26.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -83.7 122.03 28.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 80.0 t -125.2 128.53 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.193 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.522 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 4.2 t -87.34 164.32 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.685 ' HB3' HG11 ' A' ' 44' ' ' VAL . 78.6 mtm180 -102.11 -61.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.27 174.4 45.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 117.44 5.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.71 -27.87 4.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.685 HG11 ' HB3' ' A' ' 40' ' ' ARG . 9.9 p -54.43 -22.92 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.088 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.563 ' OD1' HG12 ' A' ' 46' ' ' VAL . 1.8 p30 -54.78 -46.34 74.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.563 HG12 ' OD1' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -132.1 111.36 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.73 173.69 13.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.403 HG22 ' HG3' ' A' ' 53' ' ' LYS . 90.8 m -43.42 103.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 111.12 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.3 m -57.13 126.13 25.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.59 -31.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.879 HD22 ' CG ' ' A' ' 14' ' ' PHE . 25.6 mt -61.67 -48.61 80.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 97.3 m95 -55.37 -46.88 76.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HG3' HG22 ' A' ' 48' ' ' THR . 17.4 mtpp -55.04 -34.19 63.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -78.97 -37.7 38.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 59' ' ' HIS . 47.1 mt -64.39 -50.46 67.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 1.9 mttp -74.99 -10.74 59.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.37 -40.9 17.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 3.5 ptp -123.7 -35.61 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.588 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.8 m-70 -93.7 25.46 3.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 60' ' ' ARG . 15.4 ttp-105 -50.38 -36.49 32.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -73.27 -44.84 58.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -53.76 -44.79 70.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 85.8 mt -65.23 -59.36 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -45.23 -42.51 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -66.33 -48.41 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' GLY . 68.9 m -99.45 79.96 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 34.33 -116.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.5 m170 41.92 41.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.95 113.12 4.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 58.03 45.8 17.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t -84.88 -44.35 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.74 -66.28 2.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -5.93 17.36 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.9 m 49.83 41.03 21.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 76' ' ' GLY . 22.8 t 37.94 44.74 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 75' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -93.66 108.43 20.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -160.75 156.48 25.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.6 155.97 21.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -38.57 137.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -138.16 159.85 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.74 79.58 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.7 m -88.37 42.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -94.24 -26.15 16.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.549 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -57.72 -26.03 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -53.04 -31.69 42.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.96 -17.07 8.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CB ' HD21 ' A' ' 55' ' ' LEU . 25.1 m-85 -108.95 19.41 19.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 51' ' ' LEU . 96.6 m-85 -152.03 155.48 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.573 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -142.7 128.3 19.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.572 HD22 ' HA ' ' A' ' 26' ' ' ASN . 81.3 mt -67.86 139.87 56.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.2 150.27 39.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 148.85 65.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.57 92.81 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 13.7 mtp-105 -103.38 -45.3 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.37 78.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.63 -146.38 7.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -80.59 174.98 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 25' ' ' PRO . 2.2 p80 -50.73 153.44 2.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.819 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.433 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 53.8 Cg_endo -69.8 170.42 16.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' HA ' HD22 ' A' ' 16' ' ' LEU . 2.5 m-20 60.69 37.96 18.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 16.1 pt20 -92.64 -51.43 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 39' ' ' SER . 7.2 m-85 -118.96 153.06 35.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.59 126.17 55.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.573 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 28.2 m -91.69 109.01 20.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 22.8 t -54.66 135.04 47.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -92.15 -1.88 56.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 85.0 mt -91.59 -50.6 5.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.21 -38.55 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 26.26 5.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.431 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -87.82 141.0 28.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.31 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -83.08 110.94 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.6 t -118.87 111.9 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.524 ' HB3' ' CG ' ' A' ' 28' ' ' TYR . 53.8 p -93.01 142.2 27.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -81.29 -44.11 18.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.92 -164.02 46.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.39 29.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.254 . . . . 0.0 112.328 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.82 42.55 3.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' ASN . 12.2 p -90.78 -34.98 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' VAL . 66.4 m-80 -35.33 -38.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 48' ' ' THR . 58.2 t -41.92 109.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -36.93 -37.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' THR . 92.7 m -81.01 76.94 7.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -33.45 133.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.44 -16.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 16.2 mt -62.52 -44.27 96.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 99.5 m95 -61.83 -57.2 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 57' ' ' SER . 57.3 mttt -38.93 -38.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -77.68 -40.11 42.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD21 ' CB ' ' A' ' 13' ' ' TYR . 34.5 mt -63.72 -49.85 71.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -75.48 -8.99 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 8.7 t -85.21 -41.77 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 2.5 ptp -123.41 -31.4 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 97.9 m-70 -98.27 27.36 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -56.81 -35.0 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -73.2 -34.86 66.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.96 -45.6 77.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 55' ' ' LEU . 46.4 mt -63.34 -57.84 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 65' ' ' LYS . 25.6 pt-20 -50.51 -46.05 56.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 11.5 tppt? -52.85 -51.38 61.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m -71.05 -176.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.83 44.38 3.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -103.65 40.78 1.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.12 -55.31 9.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -39.91 -43.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.924 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.1 t -80.42 134.16 35.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 43.16 63.89 1.91 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.88 30.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.343 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 75' ' ' SER . 49.7 m -130.95 -60.61 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' SER . 5.6 m -36.48 138.08 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.508 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 m -69.33 116.07 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -67.68 165.94 16.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.95 -45.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.536 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -101.25 46.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.2 p -72.4 -19.42 61.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.61 45.25 1.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.1 p -85.36 28.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.53 -39.37 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -52.92 -31.64 41.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -53.54 -29.93 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -57.03 -17.9 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CD1' HD11 ' A' ' 33' ' ' LEU . 31.0 m-85 -107.42 18.49 21.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 73.0 m-85 -151.7 150.72 30.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.579 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -137.85 126.97 24.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 26' ' ' ASN . 61.5 mt -63.37 144.1 57.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.67 144.11 29.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 111.085 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 156.74 62.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.65 2.233 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.02 100.61 4.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.036 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -75.96 -46.85 27.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.71 174.97 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.23 -133.02 13.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -82.91 158.47 22.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.5 156.85 15.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.54 0.686 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -176.75 1.58 Allowed 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.677 2.252 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.58 HD22 HD13 ' A' ' 16' ' ' LEU . 29.5 t-20 63.03 42.31 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -114.15 -43.23 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.528 ' CE1' ' HB2' ' A' ' 39' ' ' SER . 16.1 m-85 -116.28 148.25 40.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' ' 14' ' ' PHE . . . -114.96 128.72 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.093 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.579 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 7.0 m -89.66 113.51 25.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.9 t -61.01 122.54 15.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -80.52 -5.09 56.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.593 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 41.6 mt -87.57 -54.36 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.32 -43.2 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.7 30.76 3.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -104.53 163.2 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -92.7 126.24 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -134.31 97.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.528 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 33.6 t -68.74 164.78 20.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.581 ' HD2' HG21 ' A' ' 44' ' ' VAL . 41.9 mtm180 -96.04 -52.07 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.77 170.95 32.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.519 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 2.46 3.49 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.89 77.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 44' ' ' VAL . 13.0 p -117.99 38.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -129.54 42.45 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 46' ' ' VAL . 11.7 t -102.45 40.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.59 -51.78 3.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.5 HG22 ' HB2' ' A' ' 52' ' ' TRP . 80.8 m -101.0 104.47 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.119 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' LEU . 1.7 m -48.11 126.39 10.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.517 ' H ' HG23 ' A' ' 44' ' ' VAL . . . -37.15 -28.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' THR . 21.3 mt -62.41 -49.14 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.701 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 96.3 m95 -45.9 -53.71 9.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.38 -43.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -67.95 -46.11 72.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 59' ' ' HIS . 63.0 mt -56.77 -49.9 73.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' HG3' ' CD1' ' A' ' 63' ' ' LEU . 8.0 mttp -75.04 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -82.8 -41.0 19.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 4.7 ptp -126.5 -34.09 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.593 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 92.7 m-70 -93.46 21.12 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -47.19 -41.02 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -71.54 -45.58 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.32 -47.42 62.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 71.4 mt -59.91 -64.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -46.7 -55.33 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -49.17 -46.53 45.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 t -63.32 -46.73 85.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.94 48.06 0.5 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -109.8 46.51 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.823 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.09 -63.35 4.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -80.42 46.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.4 m -106.63 -40.19 5.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.415 ' HA2' ' HD2' ' A' ' 73' ' ' PRO . . . -147.42 97.12 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.415 ' HD2' ' HA2' ' A' ' 72' ' ' GLY . 54.2 Cg_endo -69.69 -176.67 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -116.12 170.21 8.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 76' ' ' GLY . 1.1 t -118.23 157.69 26.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.816 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 75' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 50.92 42.92 28.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p 38.42 41.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.45 143.25 6.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.452 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -108.59 141.6 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -112.26 -179.47 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.51 32.74 82.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p -101.5 -9.55 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.899 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.04 -27.83 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.689 ' HB2' ' CE2' ' A' ' 52' ' ' TRP . . . -56.86 -33.29 66.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.413 ' CD2' HD11 ' A' ' 51' ' ' LEU . 24.2 m95 -52.75 -30.1 30.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.04 -21.53 31.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' HB2' HD21 ' A' ' 55' ' ' LEU . 25.0 m-85 -104.4 18.96 21.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.631 ' CG ' HD22 ' A' ' 51' ' ' LEU . 90.2 m-85 -154.04 151.54 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.575 ' CD2' ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -141.66 126.22 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.65 144.71 49.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.5 143.52 26.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.562 0.696 . . . . 0.0 111.158 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 152.41 69.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.11 115.6 20.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.429 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 1.3 mpp_? -106.8 101.57 11.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.56 42.38 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.07 -98.34 1.92 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -130.34 -59.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.8 t-80 -174.72 140.88 0.7 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 54.1 Cg_endo -69.75 2.85 3.16 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -123.9 70.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -124.39 -53.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 39' ' ' SER . 55.8 m-85 -124.74 150.05 46.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.55 131.39 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.07 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.575 ' HB ' ' CD2' ' A' ' 15' ' ' HIS . 23.8 m -93.07 112.87 24.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 t -60.51 127.61 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -87.21 -2.66 58.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 31.1 mt -89.25 -51.22 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -112.27 -41.7 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.62 30.73 3.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -103.98 145.67 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -80.88 125.42 30.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.24 120.34 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.549 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 65.9 p -91.5 144.98 25.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.7 mtp85 -78.07 -71.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.46 -172.56 15.38 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 43' ' ' GLY . 53.4 Cg_endo -69.82 166.78 26.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' PRO . . . 35.34 77.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.94 177.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 65.44 43.9 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 46' ' ' VAL . 8.5 p -119.97 29.08 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.55 -117.01 3.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.3 m -55.36 98.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 51' ' ' LEU . 2.6 m -60.2 127.49 32.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' THR . . . -35.49 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.631 HD22 ' CG ' ' A' ' 14' ' ' PHE . 24.8 mt -60.42 -54.83 40.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.689 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 92.1 m95 -46.47 -54.71 8.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -40.47 -44.5 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -69.0 -45.0 71.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 52' ' ' TRP . 37.4 mt -58.12 -41.04 82.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -84.63 -8.55 58.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -82.74 -44.82 15.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.497 ' HG3' ' N ' ' A' ' 59' ' ' HIS . 6.8 ptp -122.87 -38.52 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.596 ' CE1' ' HB3' ' A' ' 33' ' ' LEU . 94.1 m-70 -86.85 21.67 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -54.58 -32.17 58.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -72.33 -42.58 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.84 -37.82 88.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 55' ' ' LEU . 78.9 mt -67.65 -57.64 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -48.34 -52.39 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -48.08 -44.05 31.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.2 m -95.15 172.65 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -77.25 50.28 3.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -126.14 -43.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -43.3 -43.18 5.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -87.76 42.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.9 m -104.95 87.17 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 168.6 128.07 0.97 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.75 23.41 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.3 p -128.76 129.87 46.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -152.72 105.88 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.51 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_