data_2e9k_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 2e9k _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 ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.893 0.377 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -67.04 -43.99 81.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -51.12 -56.52 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 tp -42.34 -58.09 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' TRP . 17.4 m -38.34 -69.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' THR . 57.1 t90 -37.44 -59.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.6 m -52.13 -57.58 9.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -51.3 -36.57 43.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -66.9 -49.97 63.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -59.39 -47.25 86.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.0 p -70.99 -24.95 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -47.19 133.96 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.07 -48.09 1.0 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -46.43 169.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -109.89 147.77 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 56.01 25.5 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.9 t -128.27 96.78 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -112.63 100.74 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.69 113.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.7 p -119.92 -22.33 6.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.79 -175.18 3.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.3 mt -119.62 33.17 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 p -128.85 -74.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t -76.26 -29.33 57.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.434 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 5.8 m -55.04 -14.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.459 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 2.4 m95 -127.34 29.47 5.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -84.84 -22.63 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.831 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.2 t -96.78 -27.62 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 106.14 -39.73 2.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' GLY . 85.7 mt -37.36 -49.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.05 -63.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 tp -59.86 -57.34 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -41.27 -40.66 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.0 -47.56 84.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.8 mt -59.26 -47.4 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.19 -69.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.484 ' ND1' ' C ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -39.51 -40.58 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -44.12 -52.66 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.14 -43.75 21.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.467 ' CA ' ' OE1' ' A' ' 53' ' ' GLU . 25.1 mmt85 -131.16 89.54 41.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.81 31.71 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.467 ' OE1' ' CA ' ' A' ' 51' ' ' ARG . 1.1 pm0 -67.72 -15.43 63.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.438 HD11 ' CB ' ' A' ' 51' ' ' ARG . 23.5 mt -88.84 -50.63 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 91.5 mt -121.8 135.6 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.26 87.43 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.402 ' HA ' ' CD1' ' A' ' 60' ' ' LEU . 4.2 t80 -46.83 -37.44 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -46.3 -41.9 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.1 t -81.69 -28.59 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 57' ' ' PHE . 73.7 mt -64.56 101.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' ASP . 3.5 t30 -98.49 131.55 44.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ASN . 1.2 pp20? -35.01 -53.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.419 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 4.9 t70 -51.87 -42.05 62.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' ASN . 94.0 m-20 -79.06 49.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.22 -57.23 13.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -43.87 -54.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.39 -44.89 93.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.434 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 52.4 m-20 -54.86 -30.41 57.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -81.8 -58.81 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -45.92 -42.6 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.7 tp -53.38 -62.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.38 -50.01 63.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -52.09 -61.08 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.34 -55.91 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -48.71 -44.61 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -69.09 -26.89 65.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -87.27 -15.0 39.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -97.15 -33.62 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -98.28 -55.35 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -85.95 -24.04 26.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 77.57 16.71 79.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.405 HG21 ' CD ' ' A' ' 108' ' ' LYS . 69.4 mt -87.55 112.27 47.35 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.723 . . . . 0.0 111.121 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 135.62 30.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.51 28.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.623 2.215 . . . . 0.0 112.364 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.82 -32.52 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.4 t -127.34 161.58 28.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLY . 75.5 p -92.51 136.48 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.4 -50.17 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -55.81 -52.56 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.57 -40.84 93.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.3 tpt -54.02 -45.62 71.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.86 -38.32 38.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -60.37 -58.69 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.65 126.63 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.111 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -74.14 -52.91 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 32.8 tt0 -128.35 96.51 30.64 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.621 0.725 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.4 Cg_endo -69.78 -178.23 2.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.733 2.289 . . . . 0.0 112.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.67 107.31 18.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -44.61 -31.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.72 -66.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.6 m -46.5 -28.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.9 mmm -74.22 -54.44 7.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.9 t -53.28 -52.47 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.404 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 17.8 ptp -51.35 -36.73 44.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.404 ' N ' ' HG3' ' A' ' 104' ' ' MET . 56.7 t80 -75.63 -58.93 2.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.6 mt -49.8 -42.48 46.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.3 m -43.4 -49.12 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.405 ' CD ' HG21 ' A' ' 82' ' ' ILE . 74.5 mttt -48.62 -41.3 30.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -73.26 -27.51 61.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -71.62 -50.43 30.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.31 -41.21 70.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.27 -37.25 72.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -86.71 -48.89 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.989 0.423 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -47.9 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.8 tp -53.33 -48.99 68.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.8 tp -48.96 -50.34 36.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -50.02 -61.42 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -45.77 -48.8 15.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.7 m -64.12 -38.77 92.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.12 -43.19 99.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -62.44 -57.78 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -49.53 -50.42 41.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' GLU . 41.2 p -67.55 -37.85 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' THR . 9.7 tt0 -37.29 133.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.05 -42.71 1.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -54.99 166.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -99.1 154.93 17.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 43.11 28.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.8 t -125.18 97.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -117.45 99.34 6.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -89.32 112.49 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.0 p -120.92 -37.43 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -124.16 -178.61 4.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -119.7 31.01 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 p -132.68 -44.94 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.5 p -96.62 -40.37 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -54.67 -32.39 59.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.485 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 1.9 m95 -110.41 34.88 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -86.12 -36.33 19.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 t -89.69 -39.09 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 125.2 -36.69 2.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.482 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 73.4 mt -34.62 -56.09 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.12 -57.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.07 -59.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.0 m -40.79 -39.64 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.96 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.3 -56.11 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.2 mt -60.34 -65.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -41.54 -42.46 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -49.26 -62.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -66.31 -53.7 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.3 mmt-85 -121.47 89.51 47.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.49 37.03 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.762 2.308 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -70.26 -29.0 65.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.0 mt -74.35 -59.41 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.461 ' CG2' HD13 ' A' ' 60' ' ' LEU . 90.4 mt -110.91 140.67 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -115.37 87.63 2.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.482 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 19.0 t80 -53.51 -40.28 65.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -40.47 -42.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -80.18 -47.38 14.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 55' ' ' ILE . 71.0 mt -51.54 113.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 63' ' ' ASP . 1.8 t30 -113.67 144.75 42.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -42.2 -55.72 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.453 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 23.7 t70 -45.99 -33.33 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 1.4 m-20 -92.34 75.53 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.78 -56.57 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.5 t -48.28 -51.19 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.6 -48.84 79.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 85.6 m-20 -51.92 -58.22 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -57.28 -63.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -42.75 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.2 tp -57.48 -68.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.36 -46.24 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.12 -47.6 85.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -62.38 -40.65 97.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.39 -44.57 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.68 74.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -85.67 -12.07 52.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -98.93 -32.67 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -99.15 -54.33 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -86.34 -20.13 28.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.57 33.8 72.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 95.8 mt -100.62 125.67 38.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 129.35 17.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 140.24 42.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.5 m -79.88 -41.16 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 t -127.14 156.88 41.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -90.99 144.5 25.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.48 -45.29 6.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -52.83 -50.21 64.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.48 -47.08 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.6 tpt -43.58 -44.74 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.06 -38.78 24.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -61.7 -64.57 0.9 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.97 108.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.51 -59.03 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -109.34 96.34 21.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 179.65 3.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.384 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -84.71 101.37 12.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -38.54 -50.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.17 -60.06 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.7 m -45.27 -39.84 6.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.0 mmm -69.02 -51.68 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.6 t -56.13 -51.71 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.4 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 5.3 ptm -54.47 -38.25 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 104' ' ' MET . 82.6 t80 -71.07 -63.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -42.45 -48.37 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -41.69 -38.1 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -48.84 -42.58 36.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -83.1 -47.99 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.456 ' CZ ' ' HD2' ' A' ' 114' ' ' ARG . 83.7 t80 -43.89 -61.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.958 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.45 -47.43 85.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.5 tp -48.73 -58.77 4.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -64.65 -50.48 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.456 ' HD2' ' CZ ' ' A' ' 110' ' ' TYR . 26.7 ttt-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -52.7 -23.88 7.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -70.09 -55.9 8.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' CD1' HD21 ' A' ' 33' ' ' LEU . 52.0 tp -54.75 -42.18 71.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -56.98 -61.87 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.408 ' CZ3' ' HA ' ' A' ' 110' ' ' TYR . 77.3 t90 -47.3 -45.39 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.3 m -65.4 -41.82 93.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -60.13 -44.14 95.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -58.35 -52.22 66.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -55.41 -47.86 75.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 p -68.66 -30.03 68.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -44.13 138.0 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.91 -41.46 2.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -52.77 170.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -111.59 149.26 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 52.86 32.17 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 t -128.4 101.36 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -113.31 105.31 13.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -102.59 110.53 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.2 p -124.31 -30.32 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -124.43 -178.14 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.446 HD21 ' CD1' ' A' ' 15' ' ' LEU . 10.4 mt -120.86 29.25 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 p -124.02 -61.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.47 -29.16 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.3 m -53.89 -16.72 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.554 ' CZ3' HD21 ' A' ' 106' ' ' LEU . 3.6 m95 -126.05 29.16 5.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -81.67 -33.75 31.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.4 t -93.37 -23.48 18.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 102.93 -33.47 6.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' GLY . 89.9 mt -36.83 -52.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.02 -68.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.31 -48.9 77.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -48.27 -26.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.98 -41.82 50.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.01 -48.97 81.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.24 -52.62 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.487 ' ND1' ' C ' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -57.97 -31.1 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' C ' ' CD ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -48.94 -62.07 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -68.95 -52.27 30.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -123.9 89.57 51.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.726 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.441 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.82 -0.48 7.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.57 -28.98 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.7 mt -72.39 -38.76 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.7 mt -128.43 131.13 69.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.465 ' ND2' ' HG ' ' A' ' 59' ' ' SER . 45.4 t-20 -101.2 82.91 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.41 ' HA ' ' CD1' ' A' ' 60' ' ' LEU . 6.1 t80 -59.07 -32.9 70.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -58.49 -19.65 38.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.465 ' HG ' ' ND2' ' A' ' 56' ' ' ASN . 18.3 m -102.76 -32.91 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 57' ' ' PHE . 86.3 mt -51.44 118.97 3.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.514 HD21 ' N ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -105.69 122.8 46.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.514 ' N ' HD21 ' A' ' 61' ' ' ASN . 18.9 tt0 -35.94 -52.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.46 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 2.9 t70 -54.94 -40.09 69.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 61' ' ' ASN . 42.3 m-20 -77.16 47.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.12 -57.96 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.7 t -39.42 -55.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.65 -45.24 87.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -49.91 -50.13 47.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -66.04 -56.91 9.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -47.28 -37.96 11.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.9 tp -58.61 -62.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -39.9 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 7.9 m-30 -61.56 -61.57 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -53.36 -38.55 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.8 t -63.31 -53.49 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.23 -19.63 65.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -93.43 -14.18 27.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -95.96 -31.4 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.32 -55.11 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -84.54 -22.23 30.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.71 14.88 79.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.3 mt -87.4 114.99 61.29 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.59 0.71 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.08 44.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 153.46 69.02 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.567 HG11 ' CD1' ' A' ' 105' ' ' TYR . 13.6 m -83.39 -38.29 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.435 ' N ' HG22 ' A' ' 85' ' ' VAL . 10.1 t -126.16 165.44 18.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' GLY . 57.1 p -90.51 133.32 35.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.69 -53.82 0.81 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -49.92 -56.73 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.56 -47.41 84.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.2 tpt -42.28 -42.18 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.5 -34.16 47.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.3 m -60.06 -66.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.17 113.7 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.33 -41.3 94.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -127.46 96.62 32.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.62 30.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.57 111.7 4.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -46.62 -23.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.426 ' C ' HD13 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -71.8 -65.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -52.71 -16.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 41.3 mmm -84.44 -53.17 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.7 t -63.54 -43.77 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 16.2 ptm -58.79 -31.43 68.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.567 ' CD1' HG11 ' A' ' 85' ' ' VAL . 39.0 t80 -81.11 -67.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.554 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 35.1 mt -43.16 -43.17 4.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.3 m -44.18 -39.17 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -58.04 -48.22 80.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -64.81 -42.38 95.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.408 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 21.5 t80 -58.31 -61.54 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -57.88 -48.83 78.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.0 tp -53.68 -61.58 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -57.02 -52.41 65.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.938 0.399 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -53.02 -56.63 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.0 tp -46.32 -64.48 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.6 tp -39.81 -54.99 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.2 m -40.31 -53.0 2.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -52.76 -61.2 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.6 m -48.81 -52.77 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -47.92 -45.26 30.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -64.05 -50.65 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -53.47 -44.07 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.5 p -92.94 33.98 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -88.65 127.32 35.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 102.59 -44.16 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' GLY . 11.5 m-85 -36.41 152.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' A' ' 26' ' ' GLN . 8.0 mm-40 -93.32 144.13 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 56.08 28.99 13.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.1 t -126.63 99.47 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -114.86 98.8 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.4 t -91.24 108.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -119.32 -37.06 3.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.191 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -122.64 -176.92 3.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 mt -120.62 31.43 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.1 p -131.78 -53.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.0 p -87.59 -36.83 17.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 m -52.37 -35.37 51.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CH2' HD21 ' A' ' 106' ' ' LEU . 3.5 m95 -104.41 30.06 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -84.61 -37.04 21.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.469 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 10.0 t -85.2 -53.11 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.428 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 135.26 -38.32 1.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.9 mt -42.84 -36.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.86 -58.34 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.18 -54.13 23.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 92.9 m -42.76 -39.24 2.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.03 -57.94 10.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.0 mt -45.25 -50.68 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mt -63.97 -64.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -46.06 -30.97 2.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -59.8 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -75.49 -48.55 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -123.66 89.44 51.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -24.22 30.09 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.94 -39.47 78.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.37 -49.56 54.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.442 ' CG2' HD12 ' A' ' 60' ' ' LEU . 29.9 mt -131.07 133.31 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -112.61 95.68 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -39.19 -36.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.87 -42.6 99.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 56' ' ' ASN . 4.5 m -73.99 -29.77 62.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 44' ' ' CYS . 88.0 mt -64.28 108.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.696 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 1.3 t-20 -75.25 112.34 11.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.6 -30.61 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.696 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 28.8 t70 -73.02 -33.62 65.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -83.67 54.9 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.64 -47.33 67.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.5 t -49.93 -55.5 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.53 -48.64 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -41.99 -59.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 39' ' ' SER . 85.4 m-20 -54.71 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -42.62 -44.19 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.9 tp -56.98 -66.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.45 -49.49 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 20.9 m-85 -58.04 -51.39 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.73 -47.79 79.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.1 -45.75 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -66.76 -38.18 86.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -74.21 -11.89 60.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -101.58 -61.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.01 -54.37 10.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -82.97 -15.85 49.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 61.6 33.39 84.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.8 mt -101.88 119.85 55.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 111.082 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 129.2 17.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 150.25 68.18 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG22 ' N ' ' A' ' 86' ' ' THR . 22.7 m -90.56 -30.41 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.416 ' N ' HG22 ' A' ' 85' ' ' VAL . 9.4 t -137.54 162.71 33.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.1 p -93.03 138.05 31.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.63 -44.41 4.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -54.05 -50.45 66.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -69.39 -44.76 70.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.9 tpt -49.21 -44.98 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.35 -38.02 42.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.3 m -61.74 -62.66 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.45 117.48 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -61.33 -59.95 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -117.62 96.36 49.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 179.47 3.7 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -78.73 139.33 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.4 ' CG ' HD22 ' A' ' 100' ' ' LEU . 11.8 pttp -75.97 -37.5 58.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 100' ' ' LEU . 4.1 mm? -65.01 -65.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -47.14 -39.11 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -63.94 -48.15 77.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.9 -63.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.6 ptm -40.6 -39.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -71.69 -60.04 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.545 HD21 ' CH2' ' A' ' 37' ' ' TRP . 19.2 mt -47.04 -45.41 21.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.1 t -42.63 -44.08 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -47.02 -45.72 21.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -74.42 -39.86 62.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -49.53 -57.38 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.49 -48.37 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 tp -47.44 -53.17 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -70.51 -43.45 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.0 ttp85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.942 0.401 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -60.89 -32.82 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.5 -51.15 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.3 tp -58.35 -40.31 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 m -56.1 -59.79 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -48.94 -49.09 41.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.9 m -60.03 -51.2 70.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -51.54 -36.56 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.29 -49.21 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -62.59 -42.95 99.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 p -73.88 -27.51 61.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -48.28 135.83 13.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.31 -41.68 2.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -55.6 167.91 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.932 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 -106.35 146.56 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 54.28 32.53 16.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.7 t -125.43 102.64 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.1 104.62 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.4 t -93.44 103.52 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.5 p -117.06 -29.52 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -131.66 -175.54 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 15.2 mt -123.92 25.95 7.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 p -130.49 -38.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.0 p -99.27 -48.92 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 m -52.73 -22.64 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.477 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 2.3 m95 -115.44 29.55 7.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -86.59 -35.34 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 24.0 t -86.14 -37.71 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 122.21 -38.03 2.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.545 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLY . 56.4 mt -34.74 -49.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.55 -66.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 44' ' ' CYS . 30.7 tp -57.97 -57.0 14.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' LEU . 95.9 m -36.56 -42.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.84 72.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.12 -51.0 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.6 mt -64.4 -61.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 3.4 t-80 -43.59 -43.01 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.8 tpt85 -42.81 -61.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -68.63 -51.55 40.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -126.68 89.46 52.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.585 0.707 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.554 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.74 -15.15 37.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.8 -31.29 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.8 mt -70.8 -46.01 63.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.2 mt -122.18 143.38 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -117.96 93.75 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -54.84 -39.47 68.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -51.34 -35.86 40.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 p -82.14 -47.87 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 mt -52.54 105.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.4 t30 -103.68 131.48 50.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 61' ' ' ASN . 11.3 pt-20 -35.28 -48.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.427 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 9.8 t0 -49.15 -45.54 43.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.0 m-20 -84.56 61.61 6.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.93 -58.67 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -42.85 -53.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.96 -44.69 95.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -48.57 -55.64 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' OD1' ' CA ' ' A' ' 40' ' ' GLY . 72.8 m-80 -59.42 -60.86 3.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -41.83 -43.21 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.9 tp -56.65 -66.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.16 -45.43 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -59.77 -51.65 68.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.39 -38.85 81.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.4 -46.14 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -68.02 -30.97 70.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -83.64 -13.82 53.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.444 ' CZ ' ' O ' ' A' ' 78' ' ' ARG . 3.5 tpm_? -99.94 -29.22 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -101.87 -51.83 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.42 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 17.2 m-85 -87.69 -20.87 25.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.87 27.98 69.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 84.3 mt -97.63 121.04 59.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.25 20.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.56 40.57 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.5 m -82.82 -28.24 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.6 t -138.25 155.42 48.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.5 p -89.96 140.86 29.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.83 -37.84 2.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -56.64 -62.06 2.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.01 -38.32 90.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.9 tpt -56.6 -45.14 81.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.86 -34.82 29.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.6 m -63.77 -61.25 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.51 113.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.471 ' NE2' ' CB ' ' A' ' 96' ' ' GLU . 3.8 pp0? -59.61 -42.88 93.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.471 ' CB ' ' NE2' ' A' ' 95' ' ' GLN . 6.7 tt0 -133.6 96.49 16.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.19 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.44 111.2 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -43.79 -53.29 6.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -49.19 -66.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.9 m -41.32 -39.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.1 mmt -68.37 -52.44 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.17 -57.51 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.8 ptm -49.19 -33.84 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -76.52 -66.04 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.07 -41.18 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -42.7 -45.24 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -47.94 -52.07 21.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -64.39 -50.87 65.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 114' ' ' ARG . 67.9 t80 -42.42 -46.51 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.954 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -74.34 -53.46 9.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 tp -44.77 -53.01 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -72.14 -47.22 52.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 110' ' ' TYR . 53.9 ttt-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.958 0.409 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -58.26 -50.67 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -52.61 -53.8 41.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 tp -49.78 -53.47 24.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.5 m -45.65 -52.89 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -51.72 -57.84 8.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.2 m -53.25 -45.26 68.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -54.97 -46.14 75.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -61.7 -49.58 75.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -53.99 -46.12 71.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -90.85 34.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -85.24 124.27 31.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.94 -41.43 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -38.34 153.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -95.42 157.55 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 42.67 27.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.9 t -125.95 93.1 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.18 94.53 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -82.36 105.36 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 p -112.51 -38.25 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -123.78 179.03 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mt -114.03 25.58 11.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 p -126.27 -53.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.2 p -83.34 -42.4 17.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -49.79 -32.26 13.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.504 ' CH2' HD23 ' A' ' 106' ' ' LEU . 1.3 m95 -110.68 36.07 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -91.49 -32.88 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -96.3 -37.43 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.13 -36.24 2.65 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.6 mt -38.36 -43.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.56 -63.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.31 -53.92 36.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.1 m -43.02 -35.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.87 -60.9 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.1 mt -43.07 -58.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mt -57.6 -67.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -42.73 -27.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.67 -61.03 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -69.8 -51.05 37.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -126.54 89.46 52.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -10.27 28.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.753 2.302 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -75.62 -19.76 58.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.4 mt -87.09 -37.07 17.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.462 ' CG2' HD13 ' A' ' 60' ' ' LEU . 30.8 mt -135.18 137.0 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.45 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 18.3 t-20 -108.93 79.57 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 58' ' ' ASP . 16.5 t80 -45.98 -57.69 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.45 ' CG ' ' OD1' ' A' ' 56' ' ' ASN . 3.4 p-10 -37.09 -34.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.427 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 28.2 t -82.58 -48.37 11.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 55' ' ' ILE . 28.9 mt -50.7 112.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.8 t30 -109.97 145.71 36.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 18.1 tt0 -35.0 -57.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.467 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 3.5 t70 -44.38 -42.57 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 52.6 m-20 -79.84 44.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.52 -59.8 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.9 t -47.4 -46.61 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.73 -45.71 77.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.458 ' OD1' ' CD2' ' A' ' 60' ' ' LEU . 92.4 m-20 -51.69 -43.27 62.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -68.48 -60.76 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -48.45 -39.72 23.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 tp -56.95 -67.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.3 -47.01 9.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -57.27 -50.39 73.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.76 -44.36 90.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.64 -39.08 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.58 -24.26 61.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -94.19 -14.03 26.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -100.51 -28.95 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -101.77 -54.82 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -85.92 -18.2 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.24 30.23 69.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.4 HG23 ' CD ' ' A' ' 108' ' ' LYS . 91.0 mt -99.42 121.98 53.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.63 21.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 144.91 55.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.461 HG22 ' N ' ' A' ' 86' ' ' THR . 26.8 m -82.85 -45.36 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.461 ' N ' HG22 ' A' ' 85' ' ' VAL . 8.8 t -127.29 167.56 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.2 p -93.79 139.19 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -38.03 -49.76 2.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -49.32 -63.46 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -55.22 -45.23 75.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.3 tpt -48.47 -51.04 29.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.62 -38.75 64.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -59.48 -64.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.51 117.96 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 28.4 pt20 -64.25 -44.7 90.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 19.8 tt0 -131.73 96.32 21.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 174.58 9.27 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' LYS . 7.6 t0 -76.21 104.08 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' ASP . 18.8 ttmm -37.86 -40.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' VAL . 4.4 mm? -62.54 -66.83 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -38.07 -38.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.1 OUTLIER -72.59 -45.76 57.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 100' ' ' LEU . 84.7 t -63.04 -55.75 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 19.0 ptm -47.17 -36.05 8.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -77.27 -58.49 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.504 HD23 ' CH2' ' A' ' 37' ' ' TRP . 47.4 mt -47.06 -46.16 22.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 m -43.42 -48.58 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.4 ' CD ' HG23 ' A' ' 82' ' ' ILE . 41.9 mttt -43.48 -52.05 6.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -63.86 -48.27 77.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -42.95 -62.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -60.2 -54.65 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -43.81 -63.99 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -59.46 -51.66 68.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -59.32 -51.71 68.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -42.77 -45.98 5.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.05 -49.65 73.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.4 m -47.49 -54.67 10.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -51.29 -56.26 13.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.2 m -52.32 -49.41 64.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -52.43 -50.94 61.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -51.25 -54.28 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -56.93 -40.01 75.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -91.47 30.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -88.03 124.06 33.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 107.04 -45.27 1.33 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' GLY . 19.3 m-85 -34.84 148.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -85.95 146.61 26.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 47.11 29.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -124.34 93.84 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -114.25 96.62 5.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.8 t -83.13 105.47 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.8 p -116.31 -33.04 5.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.24 -178.79 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mt -119.37 30.26 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 p -127.48 -52.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.6 p -92.3 -40.3 11.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.7 m -50.25 -31.12 13.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 1.5 m95 -112.43 35.84 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -86.92 -34.55 19.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 89.5 p -92.09 -47.85 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 133.42 -37.84 1.94 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.538 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' GLY . 52.5 mt -37.28 -47.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.23 -65.47 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 72' ' ' ALA . 54.9 tp -60.13 -57.51 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.3 m -37.71 -41.13 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.18 78.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.25 -52.33 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.412 ' CD1' HD12 ' A' ' 55' ' ' ILE . 64.0 mt -60.32 -50.65 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 7.1 t-80 -54.71 -44.81 73.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 -42.25 -59.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -73.58 -44.3 57.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -131.33 89.41 41.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.851 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.405 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.76 -11.7 31.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.32 -40.99 42.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.5 mt -59.84 -45.23 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.443 ' CG2' HD13 ' A' ' 60' ' ' LEU . 73.7 mt -121.27 134.55 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.422 ' N ' HG22 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -110.41 87.25 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -53.03 -48.77 67.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -39.55 -37.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -81.51 -45.38 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 HD13 ' CG2' ' A' ' 55' ' ' ILE . 72.4 mt -53.02 119.53 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.535 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 3.9 t30 -99.3 164.96 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 61' ' ' ASN . 29.0 tt0 -69.0 -38.16 79.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.535 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 5.5 t70 -85.1 13.47 6.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -111.73 30.69 6.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.57 -60.85 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.6 t -41.98 -53.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -60.87 -50.37 73.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -46.0 -60.79 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 39' ' ' SER . 84.0 m-20 -55.42 -66.64 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -39.02 -45.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.5 tp -58.0 -62.28 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HB2' ' CD2' ' A' ' 43' ' ' LEU . . . -46.63 -52.41 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -54.05 -48.73 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -56.78 -45.7 81.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.56 -42.4 96.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.23 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -93.76 -12.93 28.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -93.41 -33.14 13.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -103.87 -55.03 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -84.93 -21.57 29.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.46 34.27 84.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 92.9 mt -100.17 122.6 49.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 124.68 11.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.21 42.06 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 105' ' ' TYR . 16.0 m -75.39 -31.35 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.2 t -138.29 160.65 38.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.3 p -95.4 155.99 16.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.86 -46.31 55.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -55.03 -50.48 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -69.77 -30.72 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.1 tpt -68.26 -38.51 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.48 -34.79 47.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.9 p -71.68 -51.68 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.39 109.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.33 -54.21 46.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -130.31 96.84 23.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 177.95 5.06 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.91 126.87 34.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -55.82 -44.22 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.435 ' C ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -57.05 -63.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.0 p -44.97 -29.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -79.19 -44.3 22.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.1 t -66.6 -50.0 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 26.2 ptm -54.03 -36.95 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.433 ' CD1' HG13 ' A' ' 85' ' ' VAL . 54.4 t80 -76.55 -66.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.431 HD21 ' CE3' ' A' ' 37' ' ' TRP . 79.7 mt -42.49 -42.27 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t -43.22 -43.74 4.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -49.11 -51.18 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -66.35 -49.18 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -50.23 -59.81 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.03 -59.09 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.6 tp -44.43 -62.2 1.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -55.54 -49.67 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.9 ttt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.894 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.914 0.388 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -65.21 -54.26 32.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.6 tp -42.75 -49.35 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.3 tp -52.52 -53.0 51.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.8 m -44.13 -51.69 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -54.67 -60.31 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.5 m -48.87 -55.45 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -45.13 -49.53 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' CB ' ' A' ' 23' ' ' GLU . 12.9 mt-30 -60.32 -53.33 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -46.27 -46.45 17.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.9 p -89.64 28.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 17.0 tt0 -78.58 131.23 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 95.62 -42.11 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 11.9 m-85 -37.03 143.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.931 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -88.38 158.22 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 43.51 25.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -127.59 95.43 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -111.16 104.3 12.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.1 t -94.38 117.12 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.5 p -126.69 -31.12 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -128.65 -175.61 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mt -121.45 33.85 5.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 p -132.22 -56.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 p -84.61 -38.97 19.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -49.49 -34.53 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.536 ' CZ3' HD23 ' A' ' 106' ' ' LEU . 1.1 m95 -109.46 36.46 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 ptt85 -89.52 -30.7 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.435 ' CB ' ' HB1' ' A' ' 65' ' ' ALA . 4.9 t -91.9 -49.94 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.82 -37.6 1.92 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 41.1 mt -44.39 -38.52 4.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.9 -64.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.0 tp -63.84 -47.11 82.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.5 m -49.57 -36.76 24.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.557 ' HB2' ' CE2' ' A' ' 25' ' ' TYR . . . -61.46 -54.9 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.7 mt -50.11 -43.48 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mt -68.41 -63.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.416 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 2.6 t-80 -45.15 -48.45 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -60.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -71.58 -51.97 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -124.81 89.43 52.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.416 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.81 -17.97 37.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -64.64 -39.22 93.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.0 mt -73.66 -43.71 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.442 ' CG2' HD13 ' A' ' 60' ' ' LEU . 67.4 mt -132.39 135.96 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.467 ' ND2' ' HG ' ' A' ' 59' ' ' SER . 34.7 t-20 -120.68 93.67 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 41' ' ' LEU . 11.3 t80 -43.76 -60.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -39.56 -36.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.467 ' HG ' ' ND2' ' A' ' 56' ' ' ASN . 5.9 m -82.93 -39.45 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.45 HD21 ' CD2' ' A' ' 71' ' ' LEU . 83.5 mt -56.59 104.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -61.58 108.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -48.47 -29.94 4.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -74.38 -31.71 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -80.01 51.62 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' ' 39' ' ' SER . . . -49.06 -59.82 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t -39.94 -55.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -59.84 -50.68 72.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.433 ' OD1' ' CD2' ' A' ' 41' ' ' LEU . 9.9 m-80 -42.24 -54.9 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -57.76 -67.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -40.89 -42.27 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.45 ' CD2' HD21 ' A' ' 60' ' ' LEU . 54.9 tp -57.05 -65.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.53 -42.69 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.06 -51.98 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.79 -47.19 83.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.77 -44.34 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -71.3 -32.09 68.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -82.88 -12.44 57.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -101.8 -39.27 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -89.59 -55.2 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.458 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 15.2 m-85 -82.62 -25.04 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.31 23.3 68.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.0 mt -93.17 121.4 65.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.11 17.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.278 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 134.9 29.11 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.9 m -70.84 -37.71 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.8 t -129.76 161.15 31.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLY . 73.7 p -89.18 136.36 33.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.17 -49.3 0.84 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -54.64 -56.21 21.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.48 -42.8 92.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.4 tpt -46.84 -44.81 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.75 -36.96 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -59.87 -61.24 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.41 109.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -55.6 -42.68 75.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -133.88 96.2 16.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 171.83 13.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -76.32 129.17 36.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 100' ' ' LEU . 15.4 ptpt -68.92 -40.63 78.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 3.7 mm? -61.04 -59.7 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.6 m -50.74 -38.39 47.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.44 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -65.08 -47.52 76.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.8 t -62.84 -59.45 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.404 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 19.4 ptm -47.09 -42.1 18.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.404 ' N ' ' HG3' ' A' ' 104' ' ' MET . 61.3 t80 -65.03 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.536 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 51.0 mt -47.17 -45.33 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 m -40.49 -41.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -50.51 -52.49 38.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -65.9 -50.22 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.431 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 30.4 t80 -41.7 -50.26 4.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.38 -45.6 72.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.1 tp -51.2 -53.01 39.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -73.39 -51.64 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.431 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 14.3 ttt-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.946 0.403 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -46.71 79.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.8 tp -53.91 -48.56 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.5 tp -42.24 -47.42 4.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.9 m -44.5 -56.13 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -48.24 -55.81 9.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.1 m -53.5 -52.73 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -48.28 -47.43 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -57.06 -53.24 60.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -55.55 -38.84 69.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.5 p -92.73 33.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.87 125.36 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 104.18 -42.58 1.86 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.548 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 26.8 m-85 -37.26 150.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -95.92 142.71 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 57.6 29.25 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.813 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.43 92.91 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -108.06 96.38 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.3 t -85.57 108.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.8 p -120.83 -27.99 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -131.91 179.78 5.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.429 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 69.9 mt -116.81 25.48 10.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.5 p -130.88 -44.48 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -92.85 -36.52 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.5 m -63.47 -22.39 66.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.459 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 2.5 m95 -117.86 32.53 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -84.57 -42.84 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 t -84.05 -40.72 18.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 125.65 -33.35 3.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 40' ' ' GLY . 72.0 mt -37.46 -46.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.68 -61.27 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' ALA . 58.9 tp -63.18 -58.52 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.7 m -38.2 -31.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.548 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -65.95 -51.53 57.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.3 mt -53.94 -42.22 52.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.97 -63.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.411 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 1.9 t-80 -42.29 -45.0 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -41.13 -62.08 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -69.67 -47.24 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 -129.38 89.47 47.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.578 0.704 . . . . 0.0 110.816 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.75 -13.78 35.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.73 -39.5 73.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.2 mt -65.44 -46.6 79.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.502 ' CG2' ' CD1' ' A' ' 60' ' ' LEU . 66.4 mt -124.85 129.52 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -108.74 84.2 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -41.14 -47.35 3.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -38.28 -44.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -79.4 -46.02 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' A' ' 55' ' ' ILE . 25.5 mt -50.83 105.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.434 ' ND2' ' HB3' ' A' ' 63' ' ' ASP . 1.8 t30 -110.05 146.41 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 4.1 tp10 -39.97 -57.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.434 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 38.5 t0 -49.38 -33.54 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 73.9 m-20 -84.17 46.04 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.36 -64.49 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.0 t -39.54 -51.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.88 -45.27 86.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.433 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 98.0 m-20 -52.2 -56.7 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -56.69 -61.28 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -43.23 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.1 tp -54.99 -66.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.87 -48.21 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -58.01 -45.89 86.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.16 -58.19 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.4 t -53.47 -34.17 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.505 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -75.49 -36.25 60.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -80.2 -12.82 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -101.03 -48.31 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.55 ' CD ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.09 -55.51 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.505 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 4.4 m-85 -82.72 -20.84 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.77 35.37 79.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 75.5 mt -108.04 124.21 35.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 126.04 12.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 132.9 24.29 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.88 -28.55 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.9 t -137.11 160.45 38.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLY . 76.4 p -94.07 139.95 30.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.17 -50.94 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -53.46 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -50.02 -45.79 52.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.3 tpt -48.87 -44.34 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.74 -37.41 35.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 m -46.88 -65.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.68 108.6 8.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -43.95 -56.99 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 0.7 OUTLIER -107.89 108.92 61.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.905 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.4 Cg_endo -69.69 -168.5 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 99' ' ' LYS . 14.7 m-20 -90.44 100.26 13.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 98' ' ' ASP . 28.3 ttpt -34.74 -41.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -68.04 -56.27 9.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -49.21 -38.14 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.8 mmm -69.08 -50.84 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.31 -53.91 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 4.0 ptt? -52.4 -40.17 61.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 104' ' ' MET . 30.8 t80 -68.83 -48.71 62.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.885 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.415 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 53.7 mt -54.07 -43.4 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 p -40.95 -50.56 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -49.18 -49.98 40.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -68.18 -52.2 37.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.512 ' CE2' ' HD3' ' A' ' 114' ' ' ARG . 35.9 t80 -47.13 -54.22 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.14 -44.86 87.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 tp -44.34 -59.08 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.3 -49.59 68.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.512 ' HD3' ' CE2' ' A' ' 110' ' ' TYR . 12.5 ttp85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.956 0.408 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -43.1 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -45.15 -49.13 12.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 tp -51.56 -53.59 36.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.3 m -42.49 -55.86 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -53.2 -56.27 17.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.0 m -51.51 -45.58 62.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -54.93 -53.13 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -53.61 -55.93 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -51.76 -51.57 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 28.7 p -104.15 45.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -92.32 -18.68 23.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.19 26.16 12.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 17.6 m-85 -97.93 139.96 32.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -76.87 137.94 39.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 60.43 30.02 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.6 t -128.77 95.97 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -114.15 89.02 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.7 t -72.97 101.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.9 m -109.76 -38.47 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.42 173.58 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.539 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 11.6 mt -107.81 32.56 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.6 p -132.28 -57.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.9 p -83.74 -38.45 21.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.8 m -59.82 -27.23 66.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CZ3' HD22 ' A' ' 106' ' ' LEU . 5.2 m95 -110.87 27.38 9.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -84.14 -37.81 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 32.2 t -88.8 -45.7 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.91 -32.57 3.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.03 -40.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.59 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.08 -54.63 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.405 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 66.9 m -41.33 -40.99 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.492 ' HB2' ' CE2' ' A' ' 25' ' ' TYR . . . -58.09 -51.69 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.4 mt -53.24 -53.74 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -55.79 -58.27 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.483 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 5.3 t-80 -47.01 -45.35 21.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -42.6 -64.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -63.81 -50.06 70.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.9 mmt-85 -132.14 90.31 35.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.75 -8.04 22.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.45 -34.86 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.84 -48.23 55.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 56' ' ' ASN . 55.2 mt -123.97 139.8 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.414 ' N ' HG21 ' A' ' 55' ' ' ILE . 62.2 t30 -118.75 94.89 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -48.21 -43.97 32.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.25 -37.15 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.7 t -82.26 -40.48 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 44' ' ' CYS . 68.1 mt -52.47 118.92 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.2 t30 -102.1 118.41 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -40.48 -49.01 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 13.2 m-20 -59.78 -34.36 72.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' ASN . 29.2 m-20 -82.3 49.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' VAL . . . -56.4 -62.0 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ALA . 85.1 t -35.49 -47.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -73.69 -45.83 50.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -49.46 -58.41 5.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' GLN . 81.2 m-20 -56.98 -69.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' ASN . 5.2 mm-40 -36.43 -41.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.21 -58.61 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.21 -43.99 67.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.98 -51.43 69.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -59.83 -43.75 94.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 81.9 t -61.42 -35.51 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -80.1 -36.06 35.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -78.25 -16.41 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -98.14 -37.21 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -93.22 -55.31 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.453 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 14.1 m-85 -82.74 -23.11 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.04 33.91 65.11 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.447 HG22 ' CE ' ' A' ' 108' ' ' LYS . 79.4 mt -105.6 118.82 54.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 122.98 9.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.455 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 53.6 Cg_endo -69.79 136.8 33.83 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.628 2.219 . . . . 0.0 112.337 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.3 m -69.17 -28.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.3 t -135.82 160.09 39.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.2 p -96.53 133.71 40.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.21 -47.76 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -48.37 -53.81 16.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -71.7 -46.37 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.9 tpt -41.29 -43.31 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.27 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -56.5 -59.17 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.28 112.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -51.09 -59.63 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -121.82 96.35 47.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.79 20.54 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.68 132.62 36.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -68.97 -45.8 69.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.12 -62.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.2 t -51.11 -34.23 29.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.46 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -68.95 -50.31 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 104' ' ' MET . 93.2 t -59.38 -63.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.441 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 15.2 ptp -37.47 -38.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.455 ' CE1' ' HA ' ' A' ' 84' ' ' PRO . 71.9 t80 -76.91 -61.04 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.546 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 42.6 mt -39.08 -46.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -43.41 -46.74 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.447 ' CE ' HG22 ' A' ' 82' ' ' ILE . 24.7 mmmt -38.47 -50.57 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.0 -51.46 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.409 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 63.9 t80 -40.39 -46.36 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -73.41 -44.38 58.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.4 tp -49.61 -57.46 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -68.59 -47.5 66.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 65.1 ttp85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.967 0.413 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -59.26 -41.85 89.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.17 -58.22 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.73 -48.13 15.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.2 m -45.97 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -46.81 -52.55 13.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.1 m -58.08 -44.18 87.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -58.58 -37.1 75.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -68.15 -47.7 67.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -60.69 -49.34 77.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 19.3 p -65.6 -40.64 92.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' THR . 47.0 tt0 -35.73 129.65 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.54 -44.27 1.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -53.13 171.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -108.33 153.79 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 47.14 26.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.0 t -124.45 95.62 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 12.2 p-10 -112.06 102.95 11.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -90.19 111.11 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.1 p -120.13 -35.5 3.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -125.69 -179.38 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -118.74 25.98 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -130.23 -38.71 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.6 p -99.59 -37.95 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -56.2 -32.82 64.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.455 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 2.3 m95 -106.96 32.74 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -86.07 -37.41 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.2 t -89.61 -41.27 12.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 127.88 -36.93 2.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 57' ' ' PHE . 70.0 mt -35.29 -52.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.46 -61.06 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.46 -59.7 4.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.3 m -42.48 -35.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.1 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.38 -55.34 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.8 mt -64.08 -56.57 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -43.48 -35.69 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.6 tpt85 -63.76 -64.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -62.29 -55.11 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -125.14 89.47 52.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -23.63 30.29 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.22 -32.82 72.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 55.0 mt -76.46 -48.08 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.5 mt -123.58 125.4 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 87.35 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 41' ' ' LEU . 22.1 t80 -37.79 -42.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -35.96 -44.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -78.87 -43.53 24.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.4 mt -51.27 101.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.8 t30 -94.52 139.25 31.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.506 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 21.5 mt-10 -38.65 -58.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.28 -24.78 67.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.5 m-20 -78.92 44.79 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.57 -56.68 15.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.8 t -47.93 -47.39 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.07 -46.94 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 48.4 m-20 -57.79 -58.87 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -49.84 -59.5 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.43 -44.77 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.61 -67.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.49 -37.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -71.8 -54.02 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -51.04 -45.41 61.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.17 -34.71 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -65.61 -33.85 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -90.18 -12.18 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -94.31 -35.82 12.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.26 -55.05 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.441 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 5.2 m-85 -84.75 -23.35 29.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 69.07 34.72 76.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 87.6 mt -102.66 126.05 34.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 133.68 26.07 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 156.18 64.23 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.688 2.259 . . . . 0.0 112.393 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 86' ' ' THR . 16.5 m -98.51 -32.88 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.432 ' N ' HG22 ' A' ' 85' ' ' VAL . 8.0 t -135.33 162.01 33.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.6 p -92.35 136.58 33.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -38.35 -48.3 2.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -52.91 -58.57 6.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -59.11 -43.05 91.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.1 tpt -46.75 -44.74 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.65 -37.68 24.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -61.19 -62.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.13 114.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -62.2 -45.16 94.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -128.03 96.4 31.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.7 6.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.315 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.87 107.55 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -48.45 -54.45 14.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.79 -58.08 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.7 m -48.69 -33.77 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 36.4 mmm -74.62 -49.35 21.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.03 -39.96 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.435 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 22.9 ptm -70.77 -44.28 67.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.435 ' N ' ' HG3' ' A' ' 104' ' ' MET . 92.7 t80 -62.04 -44.61 96.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.04 -45.82 91.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.7 t -39.94 -42.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -51.12 -49.06 61.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -71.95 -44.29 63.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.445 ' CE1' ' HD2' ' A' ' 114' ' ' ARG . 24.5 t80 -52.54 -57.51 9.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -60.43 -56.43 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 tp -46.78 -53.76 11.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -62.88 -51.4 67.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.445 ' HD2' ' CE1' ' A' ' 110' ' ' TYR . 12.0 ttt85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -57.3 -47.94 80.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -47.45 -56.98 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.4 tp -48.59 -64.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.5 m -39.22 -58.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -45.8 -56.63 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.1 m -56.4 -49.48 74.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -50.2 -52.61 34.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -56.47 -58.22 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' O ' ' NH2' ' A' ' 49' ' ' ARG . 95.4 mm-40 -53.12 -36.24 60.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.2 p -110.15 40.65 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.37 -20.46 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.34 -28.55 30.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.544 ' CE2' ' CD2' ' A' ' 57' ' ' PHE . 13.3 m-85 -53.37 164.2 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -99.27 138.94 35.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 59.73 33.78 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.9 t -121.33 96.95 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -108.97 87.56 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.57 112.18 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -122.09 -32.59 3.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.44 179.98 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.467 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 6.7 mt -117.25 33.42 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -132.79 -60.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -86.01 -36.95 19.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.2 m -56.16 -32.76 64.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.467 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 3.3 m95 -108.56 30.13 6.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -82.52 -37.82 24.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.457 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 97.6 p -80.21 -46.75 15.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.496 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 126.32 -43.95 1.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' GLY . 73.1 mt -35.21 -41.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.02 -68.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.6 -51.82 68.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -41.52 -34.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . . . -66.03 -59.8 3.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.2 mt -42.82 -56.67 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.8 mt -55.91 -63.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 4.5 t-80 -38.65 -46.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 21' ' ' GLN . 7.9 tpp85 -40.15 -59.94 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.724 ' CD1' ' CE1' ' A' ' 113' ' ' PHE . 82.9 m-85 -71.59 -49.1 43.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.454 ' CB ' HD11 ' A' ' 54' ' ' LEU . 1.5 mpt_? -126.51 89.4 52.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.495 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.75 -13.47 34.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -76.66 -39.19 52.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 51' ' ' ARG . 25.5 mt -63.93 -40.91 97.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 56' ' ' ASN . 75.6 mt -131.3 139.0 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.465 ' N ' HG23 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -115.57 80.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.544 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 3.7 t80 -41.83 -63.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -39.15 -38.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.438 ' HB3' ' ND2' ' A' ' 56' ' ' ASN . 15.0 t -77.36 -37.38 52.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 57' ' ' PHE . 74.6 mt -53.27 102.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.69 120.42 11.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 6.0 pt-20 -46.96 -35.14 6.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 4.7 t70 -77.55 -34.97 53.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.58 49.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.83 -53.05 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.4 t -45.58 -57.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.53 -50.91 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -52.07 -45.9 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.496 ' OD1' ' CA ' ' A' ' 40' ' ' GLY . 77.4 m-20 -58.36 -62.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -42.08 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 tp -54.27 -63.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.62 -45.39 57.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.07 -42.6 98.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.27 -57.17 11.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.9 t -50.32 -50.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -53.44 -32.98 52.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.044 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -87.31 -12.44 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -93.07 -32.0 14.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.62 -54.2 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 8.1 m-85 -85.06 -22.91 28.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.51 34.05 67.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.0 mt -101.0 117.44 62.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.08 22.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.56 45.53 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.471 HG22 ' N ' ' A' ' 86' ' ' THR . 27.0 m -80.56 -29.96 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.471 ' N ' HG22 ' A' ' 85' ' ' VAL . 13.9 t -137.88 160.31 39.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 20.3 p -89.36 133.88 34.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.37 -57.08 1.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -45.65 -54.87 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.704 0.288 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -61.1 -38.32 85.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.0 tpt -51.79 -38.4 55.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.32 -36.64 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m -60.62 -66.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.5 121.31 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 16.1 pt20 -62.65 -47.1 85.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 7.4 tt0 -134.98 103.89 10.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.687 0.755 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.5 Cg_endo -69.79 -179.91 3.25 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 99' ' ' LYS . 1.7 m-20 -81.94 102.28 10.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 98' ' ' ASP . 11.5 tmtt? -34.52 -45.65 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.97 -67.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -39.03 -39.06 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.1 mmm -70.57 -57.88 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.8 t -53.64 -56.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 15.6 ptp -46.71 -32.15 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -82.57 -45.44 14.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.81 -52.33 65.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.7 p -39.14 -50.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -38.4 -46.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -73.3 -48.89 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -40.55 -59.91 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -60.54 -49.36 77.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.2 tp -46.3 -57.24 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.724 ' CE1' ' CD1' ' A' ' 50' ' ' PHE . 35.9 m-85 -67.66 -52.04 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 113' ' ' PHE . 20.5 tpt180 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.941 0.401 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -59.47 -50.92 72.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.3 tp -46.78 -49.58 19.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -53.86 -47.95 70.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.3 m -55.62 -60.82 2.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.428 ' CZ3' ' HA ' ' A' ' 110' ' ' TYR . 89.9 t90 -50.85 -40.89 57.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.97 -43.98 90.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.71 -44.24 90.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -59.87 -60.15 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -46.88 -54.74 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -63.83 -35.62 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -40.02 141.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.34 -41.96 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 14.8 m-85 -52.85 161.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -97.01 145.39 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 51.05 35.76 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.4 t -127.2 96.8 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.434 ' ND2' HG22 ' A' ' 31' ' ' THR . 16.4 t30 -111.36 104.42 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -95.82 110.27 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.434 HG22 ' ND2' ' A' ' 29' ' ' ASN . 36.5 p -119.98 -36.32 3.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -122.02 -176.81 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 mt -117.59 14.45 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -118.23 -40.56 2.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.1 p -99.53 -37.99 8.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -51.45 -32.18 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.553 ' CZ3' HD22 ' A' ' 106' ' ' LEU . 2.9 m95 -108.72 31.38 5.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -86.13 -37.91 18.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.5 t -82.9 -47.7 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 129.66 -41.74 1.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.448 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 77.7 mt -34.36 -43.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.91 -60.89 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.06 -60.49 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 94.4 m -42.39 -45.14 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -51.79 -49.54 62.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -57.64 -47.04 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.09 -62.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -45.33 -44.1 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -40.31 -62.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -73.35 -48.25 35.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -122.94 89.48 50.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -19.45 35.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.232 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.14 -42.61 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.5 mt -59.02 -48.55 81.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 56' ' ' ASN . 79.9 mt -125.73 139.73 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.45 ' N ' HG22 ' A' ' 55' ' ' ILE . 5.4 t30 -118.34 95.44 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.448 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 17.9 t80 -45.37 -52.57 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -38.3 -29.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' PHE . 29.1 t -85.52 -45.98 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.5 mt -50.45 118.06 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -106.61 119.3 38.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' ASN . 17.4 tt0 -37.44 -50.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -37.26 79.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 61' ' ' ASN . 12.9 m-20 -79.7 49.38 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' VAL . . . -52.33 -61.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' ALA . 98.9 t -37.39 -59.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -57.91 -51.42 69.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -44.52 -56.74 4.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.443 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 73.3 m-80 -58.4 -60.09 4.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -41.31 -42.87 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.2 tp -57.73 -61.82 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.18 -46.29 45.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.091 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 23.7 m-85 -61.51 -47.51 85.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -58.96 -46.91 86.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.8 t -63.08 -35.73 72.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -65.29 -36.17 83.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -92.49 -12.02 33.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -92.61 -34.89 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.86 -55.02 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.545 ' CD1' HD23 ' A' ' 112' ' ' LEU . 19.7 m-85 -86.23 -24.38 26.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 73.45 32.51 59.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.4 mt -96.64 123.09 55.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 132.17 22.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.13 -35.5 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.3 t -137.9 158.05 45.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 88' ' ' GLY . 28.0 p -95.48 143.07 27.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.9 -46.14 0.61 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -57.93 -64.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.73 0.3 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -53.33 -35.26 60.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -55.67 -58.25 8.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.55 87.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 t -59.95 -59.63 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.1 112.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -57.36 -57.49 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -122.81 97.87 43.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 165.69 30.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -75.1 143.15 43.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.1 ptpp? -83.5 -38.57 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.424 HD13 ' C ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -61.54 -49.17 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -62.78 -41.82 99.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.3 mmt -63.81 -47.63 80.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.0 t -63.31 -58.14 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -51.72 -39.35 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -71.05 -50.59 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.553 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 38.0 mt -57.07 -44.55 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -40.94 -46.66 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -43.66 -53.04 6.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -66.7 -52.05 49.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.428 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 4.5 t80 -44.36 -57.39 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -64.74 -48.55 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 80' ' ' PHE . 59.1 tp -45.76 -48.43 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -77.12 -45.28 27.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.891 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.895 0.379 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -58.49 -56.6 19.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 tp -48.12 -46.22 33.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.8 tp -49.48 -45.91 47.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -53.11 -55.21 25.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -49.88 -52.46 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.9 m -58.33 -50.07 74.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -56.98 -34.01 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -67.34 -51.44 52.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -57.46 -51.17 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.1 p -65.13 -35.31 80.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -38.44 126.14 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.82 -39.61 2.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -53.9 169.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -102.1 149.13 24.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.4 m170 45.23 34.4 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.3 t -125.8 97.9 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -116.34 107.85 15.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.8 t -98.88 110.98 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.7 p -122.29 -37.65 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.34 140.24 52.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mt -83.78 37.81 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.1 p -134.82 -46.95 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 p -101.64 -21.86 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.552 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 28.0 p -67.45 -14.89 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CD1' ' OG ' ' A' ' 36' ' ' SER . 16.0 m95 -115.34 5.72 14.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -65.34 -40.84 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -76.99 -39.97 48.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.92 -39.72 2.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -38.63 -40.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.26 -61.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.64 -48.72 78.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.3 m -50.01 -40.65 45.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.94 -47.05 87.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.7 mt -59.88 -48.28 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.29 -62.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.463 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 2.2 t-80 -47.2 -44.59 22.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -41.02 -63.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -69.47 -45.84 68.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -128.39 89.49 49.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.463 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 54.5 Cg_endo -69.75 -8.13 22.82 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -76.5 -40.28 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 62.3 mt -63.2 -46.56 86.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.18 143.52 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -118.61 93.33 4.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -47.33 -57.91 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.04 -31.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -86.0 -40.61 15.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.0 mt -53.33 114.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 1.3 t30 -95.77 121.26 37.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 63' ' ' ASP . 2.2 pm0 -46.19 -47.32 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 1.5 m-20 -58.78 -27.94 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -90.65 43.77 1.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.48 -51.44 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.2 t -45.13 -54.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -64.94 -49.65 69.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 88.7 m-20 -47.04 -52.16 15.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -60.89 -62.09 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.03 -48.13 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.3 tp -53.0 -63.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.29 -50.5 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -54.39 -52.06 62.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.26 -54.17 48.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.8 t -50.53 -37.33 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.79 81.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -92.11 -12.17 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -93.35 -34.75 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -102.21 -55.28 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -85.12 -24.02 28.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.32 23.13 74.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 90.5 mt -87.42 124.94 67.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.33 15.84 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 157.15 61.43 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 86' ' ' THR . 31.2 m -99.32 -34.16 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 85' ' ' VAL . 11.8 t -136.61 167.24 21.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 22.2 p -103.79 139.19 39.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.0 -49.3 1.47 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -56.53 -61.04 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -54.16 -32.35 55.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -51.07 50.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.89 -6.72 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -94.32 -49.03 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.6 116.87 10.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -64.29 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.467 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 9.5 tt0 -136.6 104.93 9.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.634 0.731 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 175.9 7.49 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 99' ' ' LYS . 9.0 t0 -78.56 104.36 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 98' ' ' ASP . 38.1 mtmt -34.37 -41.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 101' ' ' SER . 0.7 OUTLIER -67.21 -65.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LEU . 38.8 t -36.96 -45.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.436 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -62.1 -56.41 19.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.6 t -54.63 -62.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.4 ptp -41.47 -28.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -82.05 -56.75 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.517 HD23 ' CZ2' ' A' ' 37' ' ' TRP . 20.5 mt -52.95 -44.36 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -39.83 -50.32 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -50.5 -47.24 57.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -68.52 -56.26 8.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -41.73 -56.04 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -67.98 -46.17 72.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.457 HD22 ' CE1' ' A' ' 113' ' ' PHE . 8.8 tp -46.0 -55.63 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.457 ' CE1' HD22 ' A' ' 112' ' ' LEU . 34.9 m-85 -80.38 -50.28 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -52.81 -51.44 60.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -49.44 -52.69 27.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.3 tp -53.59 -42.44 67.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -59.8 -49.5 77.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.196 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -58.44 -44.28 89.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.7 m -65.83 -47.71 74.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -51.88 -40.96 61.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -63.28 -53.54 51.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -58.69 -47.86 83.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.1 p -67.82 -31.74 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.148 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -44.41 136.26 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.95 -41.38 2.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -57.34 155.05 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.9 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -94.55 143.94 26.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 57.01 32.92 22.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.6 t -128.87 96.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -110.68 105.72 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.7 t -101.81 104.59 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.5 p -118.69 -35.54 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -121.77 178.94 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 9.6 mt -118.46 34.03 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.98 -54.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.9 p -86.85 -39.36 15.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -56.05 -28.43 57.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.549 ' CZ3' HD23 ' A' ' 106' ' ' LEU . 4.6 m95 -110.08 27.59 9.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -82.5 -37.02 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t -86.9 -45.65 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 128.63 -37.02 2.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' GLY . 54.3 mt -36.12 -51.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.35 -65.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.37 -56.68 18.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.1 m -40.25 -42.11 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.17 86.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.86 -49.22 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.22 -62.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.464 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 5.0 t-80 -41.16 -46.39 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.0 tpt85 -40.73 -63.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.414 ' C ' ' HD2' ' A' ' 51' ' ' ARG . 93.0 m-85 -63.4 -52.33 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 50' ' ' PHE . 7.3 mpt_? -130.39 92.32 35.79 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.75 -8.09 22.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.31 -40.32 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 mt -66.19 -57.97 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 56' ' ' ASN . 67.3 mt -113.35 137.81 45.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.444 ' N ' HG23 ' A' ' 55' ' ' ILE . 48.6 t30 -117.46 84.18 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' ASP . 6.6 t80 -42.0 -52.57 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 57' ' ' PHE . 6.6 m-20 -37.5 -41.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.6 t -80.99 -44.78 17.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.2 mt -50.84 117.41 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.9 t30 -111.1 141.88 44.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.498 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 12.2 mt-10 -42.42 -55.44 3.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.65 -32.75 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 4.2 m-20 -86.21 42.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.0 -49.52 75.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.73 -50.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -65.76 -48.33 72.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 90.5 m-20 -48.89 -58.29 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -51.79 -61.06 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -44.86 -47.93 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.8 tp -53.78 -64.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.21 -48.43 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -59.1 -50.13 75.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -58.17 -56.16 25.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -50.71 -40.63 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -69.07 -31.61 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -83.26 -13.65 54.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -99.42 -33.74 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.16 -55.14 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -84.4 -21.35 30.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 69.35 33.76 73.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.5 mt -102.2 116.87 62.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.4 11.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.318 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.522 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 53.2 Cg_endo -69.81 138.38 37.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.295 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.467 HG21 ' N ' ' A' ' 86' ' ' THR . 34.3 m -81.16 -27.56 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.467 ' N ' HG21 ' A' ' 85' ' ' VAL . 9.0 t -135.63 153.78 51.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLY . 73.0 p -95.68 139.69 31.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.73 -51.01 0.78 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -48.29 -59.15 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.25 -48.19 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.8 tpt -48.18 -42.04 28.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.11 -38.68 24.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -60.52 -60.32 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.34 114.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -55.64 -51.88 65.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -132.28 99.81 15.84 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 179.61 3.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.06 126.34 35.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.466 ' HE2' ' CD2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -60.41 -30.37 69.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 3.4 mm? -67.49 -56.73 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.1 p -53.95 -38.08 64.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 51.5 mmm -70.58 -54.15 13.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.84 -50.98 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 19.7 ptm -54.61 -37.86 66.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.522 ' CE1' ' HA ' ' A' ' 84' ' ' PRO . 60.6 t80 -73.66 -64.69 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.549 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 9.1 mt -46.75 -44.56 19.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.1 m -44.49 -46.0 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -47.28 -40.25 16.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -77.13 -49.42 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -43.03 -53.38 4.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.67 -52.48 30.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.2 tp -43.93 -48.73 8.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -72.49 -50.71 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.973 0.416 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -77.45 -43.17 33.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 tp -53.39 -51.44 62.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 tp -47.52 -47.55 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.6 m -52.58 -49.7 64.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -55.46 -57.23 12.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.9 m -55.87 -40.03 72.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -63.47 -43.85 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -60.4 -48.35 82.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.18 -49.55 75.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 p -67.35 -26.86 66.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -48.19 144.6 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.04 -41.26 2.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.96 162.33 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.956 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -97.9 154.84 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 43.5 27.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.8 t -123.34 93.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -110.83 109.38 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.9 t -103.53 100.68 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.3 p -112.1 -34.75 5.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -125.04 179.64 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.6 mt -116.14 25.25 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 p -124.61 -62.05 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.3 p -81.61 -43.33 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -48.98 -37.91 21.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.492 ' CZ3' HD22 ' A' ' 106' ' ' LEU . 5.2 m95 -102.26 31.82 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -87.2 -36.94 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -79.9 -40.15 28.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.23 21.26 10.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.5 mt -94.75 -40.01 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.8 -51.17 66.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' A' ' 72' ' ' ALA . 63.4 tp -60.19 -50.63 72.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.4 m -51.31 -41.71 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.68 83.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.53 -51.5 71.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.5 mt -65.19 -55.62 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -49.62 -49.46 46.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -40.08 -56.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -73.02 -48.61 34.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -127.35 89.82 50.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.77 29.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -75.25 -36.98 61.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.35 -43.6 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.44 ' CG2' HD12 ' A' ' 60' ' ' LEU . 76.1 mt -128.0 135.19 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.413 ' N ' HG21 ' A' ' 55' ' ' ILE . 16.8 t30 -117.55 93.22 4.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LEU . 34.5 t80 -44.48 -55.66 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PHE . 11.8 m-20 -36.01 -37.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -81.27 -41.8 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' PHE . 64.9 mt -52.46 119.86 4.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.2 t30 -105.94 118.93 37.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -41.16 -48.77 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -33.67 71.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' ASN . 46.3 m-20 -84.99 46.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.58 -60.92 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.062 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.1 t -39.91 -46.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.46 -44.53 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -56.61 -59.28 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -52.78 -61.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.85 -45.63 7.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.5 tp -54.71 -68.92 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.402 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -39.66 -44.89 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -63.05 -53.62 50.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -55.15 -44.46 75.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.56 -41.32 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -71.75 -31.71 66.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -83.45 -13.05 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -101.55 -34.92 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -93.76 -55.01 3.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 10.9 m-85 -83.55 -22.0 32.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.73 31.78 60.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.8 mt -103.49 122.32 45.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 128.79 16.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 144.62 54.44 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 86' ' ' THR . 32.2 m -85.28 -30.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.428 ' N ' HG23 ' A' ' 85' ' ' VAL . 14.5 t -136.77 154.95 50.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.0 p -95.94 138.64 33.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.9 -48.54 1.38 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.22 -53.3 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.26 -41.42 66.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.1 tpt -50.79 -39.11 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.34 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 m -61.78 -59.07 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.17 125.34 15.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -68.3 -56.44 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -124.24 97.24 40.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.657 0.741 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 173.18 11.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.254 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.35 124.34 27.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -26.37 67.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.14 -55.34 7.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.4 t -57.28 -29.93 64.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 47.1 mmm -79.07 -53.05 7.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.63 -40.49 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 3.6 ptt? -66.39 -41.16 89.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.417 ' N ' ' HG3' ' A' ' 104' ' ' MET . 56.8 t80 -67.44 -53.77 26.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.492 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 71.5 mt -50.53 -47.12 57.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.3 m -44.12 -34.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -49.0 -50.01 38.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -77.81 -50.51 12.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -39.45 -49.21 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.1 -54.11 16.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.3 tp -45.39 -50.66 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -76.2 -52.1 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.95 0.405 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -93.31 -26.22 17.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.421 ' CD2' HG13 ' A' ' 103' ' ' VAL . 29.2 tp -66.63 -40.77 88.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.4 tp -52.91 -54.15 38.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.5 m -45.54 -60.07 2.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -42.84 -57.63 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 70.7 m -52.07 -57.4 9.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -47.65 -43.24 26.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.74 -53.26 57.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -53.86 -44.53 70.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.1 p -83.85 21.3 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -82.55 129.96 35.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.66 -45.44 1.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -48.46 148.29 2.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -94.91 151.55 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 58.35 25.48 12.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.5 t -127.9 99.15 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -115.22 103.85 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.56 107.76 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.6 p -118.99 -25.47 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -132.98 -175.1 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.6 mt -120.6 29.98 7.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -127.43 -70.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -82.0 -29.49 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.2 m -58.81 -15.38 12.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.54 ' CZ3' HD23 ' A' ' 106' ' ' LEU . 6.1 m95 -124.54 29.72 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -89.78 -35.47 15.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.2 t -76.37 -36.22 58.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.39 -20.75 32.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.98 -14.76 51.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.55 -59.9 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.4 tp -69.95 -44.51 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 74.4 m -53.71 -30.97 46.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.5 -48.13 67.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.9 mt -58.59 -39.46 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.8 mt -72.85 -51.87 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -67.53 -15.57 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -75.93 -56.64 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.709 ' CE1' ' CG ' ' A' ' 51' ' ' ARG . 1.2 p90 -79.87 -38.88 31.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.709 ' CG ' ' CE1' ' A' ' 50' ' ' PHE . 7.2 mmp_? -135.0 89.56 23.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -23.81 30.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.98 -27.82 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 mt -82.74 -47.54 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mt -130.92 149.2 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.405 ' ND2' ' HB2' ' A' ' 59' ' ' SER . 0.2 OUTLIER -130.92 100.87 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -48.42 -41.98 30.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -43.93 -45.39 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.405 ' HB2' ' ND2' ' A' ' 56' ' ' ASN . 74.4 m -79.76 -21.61 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 44' ' ' CYS . 81.4 mt -71.91 118.08 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.3 t30 -102.8 120.82 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -43.99 -48.37 8.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -59.52 -30.17 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ASN . 6.3 m-20 -85.52 59.37 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.813 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.66 80.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -52.25 -53.13 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -67.28 -45.44 76.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -50.69 -58.1 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 74.0 m-80 -55.01 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -40.28 -47.65 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.4 tp -53.5 -68.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.96 -50.16 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.463 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 14.8 m-30 -57.45 -48.57 78.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -58.8 -44.82 90.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.9 t -58.03 -37.44 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' PHE . . . -65.59 -59.66 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -65.2 -14.4 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.8 ttt85 -89.83 -37.51 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -105.23 -53.64 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.515 ' CD1' HD23 ' A' ' 112' ' ' LEU . 6.1 m-85 -82.58 -15.49 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 70.23 4.17 49.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.452 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 108' ' ' LYS . 53.9 mt -74.07 120.89 83.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 111.127 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.24 35.02 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.27 69.17 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.356 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.9 m -98.25 -29.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -138.28 154.84 49.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 80.8 p -89.25 132.77 34.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.46 -47.74 1.61 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -55.23 -61.32 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.713 0.292 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.32 -42.39 73.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -47.51 -56.76 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.75 61.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -57.92 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.33 107.89 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -51.97 -65.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.38 99.05 48.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.695 0.759 . . . . 0.0 110.834 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -176.26 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -82.71 116.67 22.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -43.33 -36.93 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 102' ' ' MET . 1.4 mm? -67.63 -67.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' LEU . 34.7 m -36.72 -30.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -81.71 -49.15 10.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.421 HG13 ' CD2' ' A' ' 14' ' ' LEU . 58.3 t -62.58 -49.47 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.451 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 10.7 ptp -53.38 -36.29 61.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.451 ' N ' ' HG3' ' A' ' 104' ' ' MET . 28.3 t80 -75.15 -40.97 59.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.54 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 41.0 mt -63.07 -26.72 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.1 m -60.13 -42.02 93.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.442 ' H ' ' CD ' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -54.45 -40.02 67.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -81.22 -55.52 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -39.68 -49.77 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -68.56 -42.79 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.515 HD23 ' CD1' ' A' ' 80' ' ' PHE . 13.2 tp -55.55 -44.89 77.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.416 ' CE2' ' CD2' ' A' ' 50' ' ' PHE . 3.4 m-85 -73.34 -52.44 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.906 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.958 0.409 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.46 -54.97 18.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.9 tp -44.56 -56.69 4.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 tp -49.94 -52.34 34.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -39.46 -60.81 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 47.6 t90 -51.84 -61.54 2.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 70.9 m -45.34 -42.35 9.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -69.12 -43.02 75.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -60.21 -50.41 73.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.409 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 4.2 mm100 -64.24 -47.53 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.7 p -64.54 -35.03 79.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -39.54 137.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.34 -44.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -49.8 144.64 6.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -84.41 138.68 32.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 m170 61.73 26.39 16.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -126.97 92.46 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -108.84 85.12 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.8 t -75.8 106.53 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 38.8 p -117.33 -33.97 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -122.03 -177.84 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 20.9 mt -117.06 14.11 14.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 p -117.17 -60.9 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -77.32 -46.1 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -48.15 -34.49 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.549 ' CZ3' ' CD2' ' A' ' 106' ' ' LEU . 1.4 m95 -109.46 36.13 3.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -85.39 -39.06 18.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -87.89 -41.54 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 128.88 -36.06 2.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' GLY . 62.5 mt -36.08 -53.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.47 -61.28 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.3 tp -64.94 -46.94 79.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 83.8 m -50.77 -34.12 26.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.34 -48.37 81.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -57.54 -50.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.92 -58.79 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -50.5 -43.82 55.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.9 tpt85 -41.56 -63.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CD1' ' CE1' ' A' ' 113' ' ' PHE . 78.0 m-85 -70.03 -48.44 57.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -128.9 89.47 48.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.709 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -13.97 35.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.65 2.233 . . . . 0.0 112.401 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.14 -36.0 71.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.0 mt -67.56 -44.74 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.7 mt -130.2 133.05 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -111.75 96.63 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.464 ' HA ' ' CD1' ' A' ' 60' ' ' LEU . 4.8 t80 -47.3 -48.51 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -45.28 -36.11 3.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.5 t -83.58 -37.39 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 57' ' ' PHE . 72.8 mt -52.82 118.58 3.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 1.1 t30 -100.66 113.24 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -43.16 -46.0 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 5.4 t70 -61.16 -31.91 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' ASN . 12.6 m-20 -88.09 45.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.34 -55.17 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -43.35 -57.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -58.32 -49.9 75.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -51.0 -59.96 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' GLN . 61.4 m-20 -51.25 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' ASN . 3.7 tp60 -36.37 -47.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.64 -61.68 2.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.84 -52.47 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 22.7 m-85 -56.61 -48.41 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.57 -59.32 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.1 t -47.75 -41.46 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -66.79 -34.41 77.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -80.32 -15.8 56.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -98.55 -27.93 13.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -105.41 -55.22 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.499 ' CD1' HD21 ' A' ' 112' ' ' LEU . 16.4 m-85 -83.77 -20.69 32.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 68.55 36.91 84.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.438 HD12 ' CE1' ' A' ' 109' ' ' PHE . 82.4 mt -108.87 124.12 35.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 111.127 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.8 41.17 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 152.8 69.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.6 m -97.83 -32.65 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.4 t -138.17 162.41 34.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.7 p -89.8 140.05 29.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.34 -36.49 4.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.44 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -62.51 -50.93 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -68.57 -39.5 80.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.3 tpt -51.41 -43.53 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.38 -38.76 15.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -60.59 -61.26 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.84 116.55 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -50.98 -58.34 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -127.22 105.83 21.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 176.75 6.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.52 142.56 39.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -77.99 -30.39 50.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -73.76 -65.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 104' ' ' MET . 32.6 m -41.04 -40.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.46 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -61.62 -57.76 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 106' ' ' LEU . 77.9 t -52.61 -65.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 101' ' ' SER . 14.4 ptp -35.87 -32.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' VAL . 41.6 t80 -84.52 -42.42 15.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.549 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 20.4 mt -64.08 -49.08 73.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.2 p -45.58 -52.07 11.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.17 -44.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.438 ' CE1' HD12 ' A' ' 82' ' ' ILE . 23.3 m-85 -74.66 -46.57 37.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -42.19 -58.25 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.95 -57.46 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.499 HD21 ' CD1' ' A' ' 80' ' ' PHE . 16.6 tp -45.26 -62.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 50' ' ' PHE . 30.8 m-85 -56.87 -51.39 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.92 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.949 0.404 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -60.02 -45.92 91.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.435 ' CD1' ' CB ' ' A' ' 110' ' ' TYR . 27.6 tp -48.19 -62.12 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.5 tp -39.94 -51.31 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.8 m -43.96 -58.02 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -49.64 -61.77 1.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.4 m -46.87 -51.47 16.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.78 -45.04 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -63.14 -55.83 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -49.02 -44.64 41.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.8 p -93.44 36.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -91.54 117.58 29.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 113.39 -46.13 1.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' GLY . 8.8 m-85 -36.04 148.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.959 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.01 146.7 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 m170 54.74 31.76 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.0 t -128.24 93.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.89 111.97 23.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -101.14 104.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.8 p -111.93 -38.89 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -128.59 -175.67 3.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 21.4 mt -114.74 19.62 15.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 p -130.91 -32.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.9 p -97.3 -47.79 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.549 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 20.3 p -58.73 -11.73 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.549 ' CD1' ' OG ' ' A' ' 36' ' ' SER . 10.1 m95 -119.08 18.12 13.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -74.55 -43.68 54.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.476 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 16.2 t -78.03 -40.83 37.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 118.14 -38.15 3.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.448 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 67.0 mt -36.39 -56.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -33.99 -67.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.97 -52.2 65.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 81.2 m -46.79 -37.35 8.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.31 -48.68 80.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.61 -43.02 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.5 mt -71.95 -56.62 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -49.5 -47.98 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -64.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -69.3 -51.03 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -124.15 90.59 50.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.51 29.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.81 -30.82 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.6 mt -72.6 -44.43 62.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 56' ' ' ASN . 80.8 mt -131.44 134.38 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' N ' HG22 ' A' ' 55' ' ' ILE . 40.9 t30 -109.2 88.1 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 41' ' ' LEU . 8.0 t80 -46.15 -52.32 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -39.75 -38.56 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -77.51 -41.85 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 57' ' ' PHE . 57.6 mt -50.39 119.72 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -110.08 119.11 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 63' ' ' ASP . 2.7 pp20? -35.01 -52.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.453 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 26.6 t70 -55.19 -41.9 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ASN . 17.9 m-20 -79.76 43.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' VAL . . . -47.63 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' ALA . 92.4 t -37.39 -57.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -56.99 -50.46 72.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -52.5 -59.41 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 39' ' ' SER . 58.1 m-20 -55.44 -59.46 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -46.42 -46.05 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.5 tp -51.52 -64.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.78 -50.44 25.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -54.85 -49.3 71.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.86 -43.04 99.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.9 t -64.97 -36.8 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -70.68 -30.67 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -86.21 -15.96 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.13 -33.26 10.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -97.53 -55.09 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -86.48 -23.12 26.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 72.88 30.57 63.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.449 HD13 ' CE1' ' A' ' 109' ' ' PHE . 50.6 mt -100.74 120.73 54.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.158 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.79 11.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 142.79 48.85 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.2 m -79.84 -31.0 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -138.14 158.3 44.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.9 p -96.36 139.58 32.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.58 -48.35 1.26 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -47.97 -52.31 20.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.91 -42.33 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.5 tpt -47.82 -39.8 19.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.78 -38.74 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -62.94 -61.77 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.25 112.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -43.25 -57.25 3.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -135.52 114.79 11.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.645 0.736 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.75 10.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.84 127.57 32.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -60.52 -46.2 91.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.39 -66.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 104' ' ' MET . 7.5 t -40.67 -43.42 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 55.1 mmm -67.06 -54.2 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.34 -47.84 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 18.1 ptp -60.68 -40.61 92.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 104' ' ' MET . 51.4 t80 -66.36 -57.78 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.464 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 52.9 mt -50.03 -50.07 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 t -42.42 -36.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -54.37 -45.05 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.449 ' CE1' HD13 ' A' ' 82' ' ' ILE . 30.2 m-85 -77.33 -44.61 28.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.435 ' CB ' ' CD1' ' A' ' 14' ' ' LEU . 7.7 t80 -43.81 -59.03 2.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -68.47 -43.35 77.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.5 tp -43.76 -46.4 7.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -92.93 -52.21 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 110' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.954 0.407 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -51.1 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -51.89 -56.34 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 tp -49.2 -51.77 30.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.1 m -45.72 -59.61 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -49.29 -52.44 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.5 m -54.52 -51.55 64.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -48.44 -47.0 38.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -58.0 -49.09 78.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -55.4 -49.06 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.0 p -85.71 34.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -83.32 137.08 34.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 90.01 -41.29 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.541 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' GLY . 22.3 m-85 -36.74 135.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -82.71 144.38 30.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 58.45 25.23 12.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -125.66 100.64 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -118.68 90.13 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.2 t -76.96 123.04 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.462 HG21 ' N ' ' A' ' 32' ' ' ASP . 8.3 t -131.49 -32.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.462 ' N ' HG21 ' A' ' 31' ' ' THR . 0.7 OUTLIER -133.85 -175.21 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.507 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 12.1 mt -119.91 32.98 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.1 p -128.18 -57.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.2 p -86.06 -42.71 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.4 m -52.51 -32.29 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.507 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 2.8 m95 -109.72 33.25 4.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.7 ptt-85 -87.24 -39.11 15.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 47.7 t -87.62 -39.3 15.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 124.71 -36.12 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' GLY . 93.6 mt -35.71 -48.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.8 -63.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' A' ' 109' ' ' PHE . 44.7 tp -61.61 -55.21 33.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.3 m -43.45 -34.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.06 -49.04 77.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -57.64 -55.11 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.0 mt -55.74 -61.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -38.56 -49.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -45.69 -56.71 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -68.96 -54.57 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -126.17 89.39 52.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -6.47 18.66 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -80.79 -38.04 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.2 mt -68.22 -42.9 79.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 56' ' ' ASN . 68.4 mt -125.51 140.84 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.424 ' N ' HG22 ' A' ' 55' ' ' ILE . 7.3 m-20 -114.35 79.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -40.78 -46.92 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.91 -38.56 70.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' ASN . 5.6 t -80.23 -32.73 38.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.1 mt -54.91 118.89 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.5 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 1.0 OUTLIER -102.49 117.92 35.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.446 ' N ' HD21 ' A' ' 61' ' ' ASN . 1.4 pt-20 -39.55 -49.28 2.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.5 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 19.2 t0 -55.53 -36.91 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -81.55 40.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.96 -47.52 52.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.8 t -48.71 -53.19 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -65.39 -47.23 77.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -51.52 -55.44 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 39' ' ' SER . 67.3 m-20 -57.38 -63.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -44.88 -39.87 5.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.88 -66.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.13 -44.38 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -64.57 -54.33 33.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.92 -44.51 70.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.38 -38.57 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.92 59.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.069 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -95.89 -11.87 26.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -103.75 -34.0 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.73 -45.25 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.438 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 4.3 m-85 -98.09 -23.07 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.84 54.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.9 mt -99.75 119.63 59.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 124.87 11.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.32 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.66 51.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 86' ' ' THR . 28.2 m -80.87 -31.17 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 85' ' ' VAL . 9.4 t -136.05 152.19 50.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 88' ' ' GLY . 71.1 p -94.8 132.92 39.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.92 -49.05 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -64.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -65.43 -46.41 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.6 tpt -41.2 -52.8 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.78 90.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.6 m -57.48 -61.69 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.28 124.34 15.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -69.55 -51.63 33.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -125.02 103.52 30.36 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -176.11 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' LYS . 2.2 m-20 -88.88 104.78 17.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' ASP . 14.0 ttmt -38.1 -40.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.439 ' N ' HD21 ' A' ' 100' ' ' LEU . 4.3 mm? -60.25 -67.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 t -38.76 -44.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.7 mmm -65.66 -48.56 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.6 t -60.04 -50.81 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.6 ptm -60.55 -39.09 86.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.46 -44.89 73.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.411 HD21 ' CH2' ' A' ' 37' ' ' TRP . 20.1 mt -53.76 -51.77 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.5 p -39.88 -39.15 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -43.71 -47.19 7.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 43' ' ' LEU . 30.3 m-85 -84.17 -50.78 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 77.1 t80 -39.8 -54.84 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -60.1 -58.59 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.2 tp -45.14 -61.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -58.13 -52.29 66.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 26.1 ttp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -56.81 150.08 17.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -66.0 -42.73 89.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.07 62.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -71.77 133.83 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -154.73 130.89 10.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.12 -64.04 0.62 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -128.21 131.57 48.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 11' ' ' PRO . 22.9 mm -103.15 146.06 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 7.6 mmm180 -74.58 -62.16 1.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.5 Cg_endo -69.79 6.82 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 10' ' ' ARG . 1.7 t -41.2 -54.95 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -67.04 -43.99 81.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -51.12 -56.52 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 tp -42.34 -58.09 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' TRP . 17.4 m -38.34 -69.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' THR . 57.1 t90 -37.44 -59.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.6 m -52.13 -57.58 9.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -51.3 -36.57 43.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -66.9 -49.97 63.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -59.39 -47.25 86.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.0 p -70.99 -24.95 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -47.19 133.96 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.07 -48.09 1.0 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -46.43 169.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -109.89 147.77 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 56.01 25.5 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.9 t -128.27 96.78 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -112.63 100.74 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.69 113.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.7 p -119.92 -22.33 6.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.79 -175.18 3.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 11' ' ' PRO . 11.3 mt -119.62 33.17 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 p -128.85 -74.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t -76.26 -29.33 57.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.434 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 5.8 m -55.04 -14.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.459 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 2.4 m95 -127.34 29.47 5.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -84.84 -22.63 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.831 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.2 t -96.78 -27.62 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 106.14 -39.73 2.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' GLY . 85.7 mt -37.36 -49.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.05 -63.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 tp -59.86 -57.34 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -41.27 -40.66 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.0 -47.56 84.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.8 mt -59.26 -47.4 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.19 -69.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.484 ' ND1' ' C ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -39.51 -40.58 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -44.12 -52.66 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.14 -43.75 21.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' CA ' ' OE1' ' A' ' 53' ' ' GLU . 25.1 mmt85 -131.16 89.54 41.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.81 31.71 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.467 ' OE1' ' CA ' ' A' ' 51' ' ' ARG . 1.1 pm0 -67.72 -15.43 63.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.438 HD11 ' CB ' ' A' ' 51' ' ' ARG . 23.5 mt -88.84 -50.63 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 91.5 mt -121.8 135.6 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.26 87.43 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.402 ' HA ' ' CD1' ' A' ' 60' ' ' LEU . 4.2 t80 -46.83 -37.44 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -46.3 -41.9 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.1 t -81.69 -28.59 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 57' ' ' PHE . 73.7 mt -64.56 101.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' ASP . 3.5 t30 -98.49 131.55 44.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ASN . 1.2 pp20? -35.01 -53.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 4.9 t70 -51.87 -42.05 62.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' ASN . 94.0 m-20 -79.06 49.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.22 -57.23 13.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -43.87 -54.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.39 -44.89 93.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.434 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 52.4 m-20 -54.86 -30.41 57.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -81.8 -58.81 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -45.92 -42.6 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.7 tp -53.38 -62.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.38 -50.01 63.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -52.09 -61.08 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.34 -55.91 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -48.71 -44.61 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -69.09 -26.89 65.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -87.27 -15.0 39.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -97.15 -33.62 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -98.28 -55.35 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -85.95 -24.04 26.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 77.57 16.71 79.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.405 HG21 ' CD ' ' A' ' 108' ' ' LYS . 69.4 mt -87.55 112.27 47.35 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.723 . . . . 0.0 111.121 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 135.62 30.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.51 28.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.623 2.215 . . . . 0.0 112.364 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.82 -32.52 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.4 t -127.34 161.58 28.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLY . 75.5 p -92.51 136.48 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.4 -50.17 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -55.81 -52.56 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.57 -40.84 93.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.3 tpt -54.02 -45.62 71.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.86 -38.32 38.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -60.37 -58.69 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.65 126.63 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.111 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -74.14 -52.91 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 32.8 tt0 -128.35 96.51 30.64 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.621 0.725 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.4 Cg_endo -69.78 -178.23 2.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.733 2.289 . . . . 0.0 112.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.67 107.31 18.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -44.61 -31.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.72 -66.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.6 m -46.5 -28.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.9 mmm -74.22 -54.44 7.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.9 t -53.28 -52.47 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.404 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 17.8 ptp -51.35 -36.73 44.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.404 ' N ' ' HG3' ' A' ' 104' ' ' MET . 56.7 t80 -75.63 -58.93 2.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.6 mt -49.8 -42.48 46.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.3 m -43.4 -49.12 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.405 ' CD ' HG21 ' A' ' 82' ' ' ILE . 74.5 mttt -48.62 -41.3 30.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -73.26 -27.51 61.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -71.62 -50.43 30.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.31 -41.21 70.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.27 -37.25 72.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -86.71 -48.89 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -67.87 102.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.46 -117.61 3.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 69.9 p -67.16 144.11 98.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 111.139 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 141.36 45.01 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 118' ' ' LEU . 1.1 pt? -147.56 131.33 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.5 148.32 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.44 13.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.899 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -82.37 95.06 7.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -137.94 162.75 33.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.58 -122.82 23.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 67.54 43.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -106.79 -46.9 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.59 169.36 28.67 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.57 130.76 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 11' ' ' PRO . 6.5 mt -84.85 147.51 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 19.6 mmm-85 -33.01 -60.14 0.4 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 9' ' ' ILE . 53.7 Cg_endo -69.74 -51.26 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.6 m -38.45 -36.49 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -47.9 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' PRO . 13.8 tp -53.33 -48.99 68.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.8 tp -48.96 -50.34 36.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -50.02 -61.42 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -45.77 -48.8 15.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.7 m -64.12 -38.77 92.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.12 -43.19 99.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -62.44 -57.78 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -49.53 -50.42 41.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' GLU . 41.2 p -67.55 -37.85 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' THR . 9.7 tt0 -37.29 133.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.05 -42.71 1.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -54.99 166.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -99.1 154.93 17.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 43.11 28.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.8 t -125.18 97.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -117.45 99.34 6.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -89.32 112.49 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.0 p -120.92 -37.43 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -124.16 -178.61 4.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -119.7 31.01 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 p -132.68 -44.94 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.5 p -96.62 -40.37 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -54.67 -32.39 59.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.485 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 1.9 m95 -110.41 34.88 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -86.12 -36.33 19.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 t -89.69 -39.09 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 125.2 -36.69 2.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 73.4 mt -34.62 -56.09 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.12 -57.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.07 -59.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.0 m -40.79 -39.64 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.96 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.3 -56.11 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.2 mt -60.34 -65.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -41.54 -42.46 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -49.26 -62.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -66.31 -53.7 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.3 mmt-85 -121.47 89.51 47.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.49 37.03 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.762 2.308 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -70.26 -29.0 65.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.0 mt -74.35 -59.41 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.461 ' CG2' HD13 ' A' ' 60' ' ' LEU . 90.4 mt -110.91 140.67 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -115.37 87.63 2.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.482 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 19.0 t80 -53.51 -40.28 65.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -40.47 -42.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -80.18 -47.38 14.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 55' ' ' ILE . 71.0 mt -51.54 113.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 63' ' ' ASP . 1.8 t30 -113.67 144.75 42.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -42.2 -55.72 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.453 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 23.7 t70 -45.99 -33.33 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 1.4 m-20 -92.34 75.53 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.78 -56.57 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.5 t -48.28 -51.19 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.6 -48.84 79.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 85.6 m-20 -51.92 -58.22 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -57.28 -63.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -42.75 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.2 tp -57.48 -68.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.36 -46.24 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.12 -47.6 85.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -62.38 -40.65 97.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.39 -44.57 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.68 74.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -85.67 -12.07 52.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -98.93 -32.67 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -99.15 -54.33 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -86.34 -20.13 28.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.57 33.8 72.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 95.8 mt -100.62 125.67 38.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 129.35 17.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 140.24 42.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.5 m -79.88 -41.16 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 t -127.14 156.88 41.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -90.99 144.5 25.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.48 -45.29 6.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -52.83 -50.21 64.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.48 -47.08 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.6 tpt -43.58 -44.74 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.06 -38.78 24.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -61.7 -64.57 0.9 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.97 108.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.51 -59.03 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -109.34 96.34 21.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 179.65 3.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.384 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -84.71 101.37 12.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -38.54 -50.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.17 -60.06 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.7 m -45.27 -39.84 6.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.0 mmm -69.02 -51.68 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.6 t -56.13 -51.71 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.4 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 5.3 ptm -54.47 -38.25 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 104' ' ' MET . 82.6 t80 -71.07 -63.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -42.45 -48.37 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -41.69 -38.1 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -48.84 -42.58 36.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -83.1 -47.99 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.456 ' CZ ' ' HD2' ' A' ' 114' ' ' ARG . 83.7 t80 -43.89 -61.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.958 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.45 -47.43 85.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.5 tp -48.73 -58.77 4.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -64.65 -50.48 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.456 ' HD2' ' CZ ' ' A' ' 110' ' ' TYR . 26.7 ttt-85 -42.96 -47.4 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.15 106.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -113.24 140.89 24.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.596 0.713 . . . . 0.0 111.109 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 155.38 66.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 119' ' ' ARG . 4.2 mp -65.02 78.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -34.75 130.14 0.47 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 113.52 3.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.378 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -130.26 150.9 51.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -104.14 150.96 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.88 99.24 0.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -164.43 135.56 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -111.28 129.54 55.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.14 -179.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -174.5 161.16 3.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.479 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 4.4 mp -87.95 132.29 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.526 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 54.5 mtt180 -69.77 -57.35 6.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.6 Cg_endo -69.73 8.84 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.479 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 2.2 t -87.94 -63.54 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -52.7 -23.88 7.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -70.09 -55.9 8.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' CD1' HD21 ' A' ' 33' ' ' LEU . 52.0 tp -54.75 -42.18 71.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -56.98 -61.87 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.408 ' CZ3' ' HA ' ' A' ' 110' ' ' TYR . 77.3 t90 -47.3 -45.39 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.3 m -65.4 -41.82 93.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -60.13 -44.14 95.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -58.35 -52.22 66.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -55.41 -47.86 75.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 p -68.66 -30.03 68.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -44.13 138.0 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.91 -41.46 2.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -52.77 170.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -111.59 149.26 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 52.86 32.17 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 t -128.4 101.36 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -113.31 105.31 13.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -102.59 110.53 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.2 p -124.31 -30.32 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -124.43 -178.14 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.446 HD21 ' CD1' ' A' ' 15' ' ' LEU . 10.4 mt -120.86 29.25 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 p -124.02 -61.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.47 -29.16 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.3 m -53.89 -16.72 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.554 ' CZ3' HD21 ' A' ' 106' ' ' LEU . 3.6 m95 -126.05 29.16 5.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -81.67 -33.75 31.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.4 t -93.37 -23.48 18.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 102.93 -33.47 6.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' GLY . 89.9 mt -36.83 -52.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.02 -68.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.31 -48.9 77.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -48.27 -26.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.98 -41.82 50.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.01 -48.97 81.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.24 -52.62 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.487 ' ND1' ' C ' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -57.97 -31.1 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' C ' ' CD ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -48.94 -62.07 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -68.95 -52.27 30.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -123.9 89.57 51.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.726 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.441 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.82 -0.48 7.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.57 -28.98 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.7 mt -72.39 -38.76 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.7 mt -128.43 131.13 69.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.465 ' ND2' ' HG ' ' A' ' 59' ' ' SER . 45.4 t-20 -101.2 82.91 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.41 ' HA ' ' CD1' ' A' ' 60' ' ' LEU . 6.1 t80 -59.07 -32.9 70.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -58.49 -19.65 38.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.465 ' HG ' ' ND2' ' A' ' 56' ' ' ASN . 18.3 m -102.76 -32.91 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 57' ' ' PHE . 86.3 mt -51.44 118.97 3.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.514 HD21 ' N ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -105.69 122.8 46.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.514 ' N ' HD21 ' A' ' 61' ' ' ASN . 18.9 tt0 -35.94 -52.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.46 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 2.9 t70 -54.94 -40.09 69.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 61' ' ' ASN . 42.3 m-20 -77.16 47.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.12 -57.96 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.7 t -39.42 -55.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.65 -45.24 87.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -49.91 -50.13 47.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -66.04 -56.91 9.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -47.28 -37.96 11.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.9 tp -58.61 -62.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -39.9 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 7.9 m-30 -61.56 -61.57 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -53.36 -38.55 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.8 t -63.31 -53.49 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.23 -19.63 65.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -93.43 -14.18 27.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -95.96 -31.4 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.32 -55.11 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -84.54 -22.23 30.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.71 14.88 79.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.3 mt -87.4 114.99 61.29 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.59 0.71 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.08 44.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 153.46 69.02 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.567 HG11 ' CD1' ' A' ' 105' ' ' TYR . 13.6 m -83.39 -38.29 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.435 ' N ' HG22 ' A' ' 85' ' ' VAL . 10.1 t -126.16 165.44 18.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' GLY . 57.1 p -90.51 133.32 35.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.69 -53.82 0.81 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -49.92 -56.73 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.56 -47.41 84.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.2 tpt -42.28 -42.18 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.5 -34.16 47.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.3 m -60.06 -66.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.17 113.7 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.33 -41.3 94.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -127.46 96.62 32.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.62 30.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.57 111.7 4.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -46.62 -23.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.426 ' C ' HD13 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -71.8 -65.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -52.71 -16.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 41.3 mmm -84.44 -53.17 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.7 t -63.54 -43.77 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 16.2 ptm -58.79 -31.43 68.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.567 ' CD1' HG11 ' A' ' 85' ' ' VAL . 39.0 t80 -81.11 -67.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.554 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 35.1 mt -43.16 -43.17 4.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.3 m -44.18 -39.17 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -58.04 -48.22 80.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -64.81 -42.38 95.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.408 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 21.5 t80 -58.31 -61.54 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -57.88 -48.83 78.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.0 tp -53.68 -61.58 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -57.02 -52.41 65.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -44.24 -63.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 138.68 -110.75 0.75 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -136.5 138.28 26.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 111.155 -179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 116' ' ' THR . 53.6 Cg_endo -69.8 176.77 6.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -94.26 149.18 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -141.16 143.78 32.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.1 28.73 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m 63.02 42.45 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -90.61 111.66 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.6 -55.98 8.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -147.65 156.54 42.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 m -118.51 167.15 11.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.52 -158.26 15.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -77.33 146.03 37.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.2 mt -89.45 123.07 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.502 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 21.9 mtt-85 -70.98 -59.26 3.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 54.0 Cg_endo -69.75 4.89 1.92 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 t -41.06 -60.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -53.02 -56.63 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.0 tp -46.32 -64.48 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.6 tp -39.81 -54.99 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.2 m -40.31 -53.0 2.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -52.76 -61.2 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.6 m -48.81 -52.77 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -47.92 -45.26 30.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -64.05 -50.65 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -53.47 -44.07 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.5 p -92.94 33.98 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -88.65 127.32 35.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 102.59 -44.16 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' GLY . 11.5 m-85 -36.41 152.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.441 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 8.0 mm-40 -93.32 144.13 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 56.08 28.99 13.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.1 t -126.63 99.47 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -114.86 98.8 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.4 t -91.24 108.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -119.32 -37.06 3.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.191 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -122.64 -176.92 3.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 11' ' ' PRO . 26.0 mt -120.62 31.43 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.1 p -131.78 -53.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.0 p -87.59 -36.83 17.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 m -52.37 -35.37 51.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CH2' HD21 ' A' ' 106' ' ' LEU . 3.5 m95 -104.41 30.06 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -84.61 -37.04 21.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.469 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 10.0 t -85.2 -53.11 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.428 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 135.26 -38.32 1.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.9 mt -42.84 -36.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.86 -58.34 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.18 -54.13 23.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 92.9 m -42.76 -39.24 2.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.03 -57.94 10.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.0 mt -45.25 -50.68 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mt -63.97 -64.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -46.06 -30.97 2.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -59.8 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -75.49 -48.55 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -123.66 89.44 51.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -24.22 30.09 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.94 -39.47 78.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.37 -49.56 54.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.442 ' CG2' HD12 ' A' ' 60' ' ' LEU . 29.9 mt -131.07 133.31 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -112.61 95.68 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -39.19 -36.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.87 -42.6 99.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 56' ' ' ASN . 4.5 m -73.99 -29.77 62.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 44' ' ' CYS . 88.0 mt -64.28 108.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.696 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 1.3 t-20 -75.25 112.34 11.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.6 -30.61 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.696 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 28.8 t70 -73.02 -33.62 65.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -83.67 54.9 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.64 -47.33 67.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.5 t -49.93 -55.5 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.53 -48.64 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -41.99 -59.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 39' ' ' SER . 85.4 m-20 -54.71 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -42.62 -44.19 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.9 tp -56.98 -66.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.45 -49.49 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 20.9 m-85 -58.04 -51.39 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.73 -47.79 79.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.1 -45.75 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -66.76 -38.18 86.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -74.21 -11.89 60.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -101.58 -61.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.01 -54.37 10.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -82.97 -15.85 49.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 61.6 33.39 84.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.8 mt -101.88 119.85 55.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 111.082 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 129.2 17.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 150.25 68.18 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG22 ' N ' ' A' ' 86' ' ' THR . 22.7 m -90.56 -30.41 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.416 ' N ' HG22 ' A' ' 85' ' ' VAL . 9.4 t -137.54 162.71 33.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.1 p -93.03 138.05 31.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.63 -44.41 4.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -54.05 -50.45 66.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -69.39 -44.76 70.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.9 tpt -49.21 -44.98 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.35 -38.02 42.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.3 m -61.74 -62.66 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.45 117.48 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -61.33 -59.95 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -117.62 96.36 49.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 179.47 3.7 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -78.73 139.33 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.4 ' CG ' HD22 ' A' ' 100' ' ' LEU . 11.8 pttp -75.97 -37.5 58.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 100' ' ' LEU . 4.1 mm? -65.01 -65.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -47.14 -39.11 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -63.94 -48.15 77.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.9 -63.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.6 ptm -40.6 -39.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -71.69 -60.04 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.545 HD21 ' CH2' ' A' ' 37' ' ' TRP . 19.2 mt -47.04 -45.41 21.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.1 t -42.63 -44.08 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -47.02 -45.72 21.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -74.42 -39.86 62.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -49.53 -57.38 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.49 -48.37 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 tp -47.44 -53.17 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -70.51 -43.45 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.0 ttp85 -70.68 110.0 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.87 -91.93 0.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -150.69 138.3 12.06 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.565 0.698 . . . . 0.0 111.122 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 116' ' ' THR . 54.2 Cg_endo -69.71 -172.31 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 117' ' ' PRO . 9.2 mt 35.03 48.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 34.8 mmm-85 -56.77 148.09 49.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 121.19 7.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -65.2 -60.86 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -47.27 132.12 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.94 129.95 1.07 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -84.77 46.28 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 t -83.18 43.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.71 70.0 1.0 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.65 111.33 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.479 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 81.8 mt -86.85 130.54 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.529 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 13.9 mtp85 -69.87 -57.08 6.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.562 0.696 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.9 Cg_endo -69.74 9.73 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 2.254 . . . . 0.0 112.324 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.479 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 30.7 t -96.76 -46.14 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -60.89 -32.82 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.5 -51.15 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.3 tp -58.35 -40.31 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 m -56.1 -59.79 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -48.94 -49.09 41.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.9 m -60.03 -51.2 70.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -51.54 -36.56 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.29 -49.21 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -62.59 -42.95 99.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 p -73.88 -27.51 61.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -48.28 135.83 13.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.31 -41.68 2.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -55.6 167.91 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.932 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 -106.35 146.56 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 54.28 32.53 16.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.7 t -125.43 102.64 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.1 104.62 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.4 t -93.44 103.52 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.5 p -117.06 -29.52 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -131.66 -175.54 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 15.2 mt -123.92 25.95 7.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 p -130.49 -38.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.0 p -99.27 -48.92 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 m -52.73 -22.64 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.477 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 2.3 m95 -115.44 29.55 7.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -86.59 -35.34 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 24.0 t -86.14 -37.71 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 122.21 -38.03 2.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.545 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLY . 56.4 mt -34.74 -49.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.55 -66.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 44' ' ' CYS . 30.7 tp -57.97 -57.0 14.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' LEU . 95.9 m -36.56 -42.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.84 72.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.12 -51.0 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.6 mt -64.4 -61.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 3.4 t-80 -43.59 -43.01 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.8 tpt85 -42.81 -61.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -68.63 -51.55 40.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -126.68 89.46 52.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.585 0.707 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.554 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.74 -15.15 37.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.8 -31.29 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.8 mt -70.8 -46.01 63.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.2 mt -122.18 143.38 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -117.96 93.75 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -54.84 -39.47 68.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -51.34 -35.86 40.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 p -82.14 -47.87 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 mt -52.54 105.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.4 t30 -103.68 131.48 50.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 61' ' ' ASN . 11.3 pt-20 -35.28 -48.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.427 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 9.8 t0 -49.15 -45.54 43.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.0 m-20 -84.56 61.61 6.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.93 -58.67 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -42.85 -53.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.96 -44.69 95.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -48.57 -55.64 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' OD1' ' CA ' ' A' ' 40' ' ' GLY . 72.8 m-80 -59.42 -60.86 3.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -41.83 -43.21 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.9 tp -56.65 -66.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.16 -45.43 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -59.77 -51.65 68.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.39 -38.85 81.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.4 -46.14 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -68.02 -30.97 70.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -83.64 -13.82 53.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.444 ' CZ ' ' O ' ' A' ' 78' ' ' ARG . 3.5 tpm_? -99.94 -29.22 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -101.87 -51.83 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.42 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 17.2 m-85 -87.69 -20.87 25.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.87 27.98 69.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 84.3 mt -97.63 121.04 59.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.25 20.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.56 40.57 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.5 m -82.82 -28.24 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.6 t -138.25 155.42 48.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.5 p -89.96 140.86 29.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.83 -37.84 2.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -56.64 -62.06 2.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.01 -38.32 90.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.9 tpt -56.6 -45.14 81.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.86 -34.82 29.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.6 m -63.77 -61.25 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.51 113.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.471 ' NE2' ' CB ' ' A' ' 96' ' ' GLU . 3.8 pp0? -59.61 -42.88 93.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.471 ' CB ' ' NE2' ' A' ' 95' ' ' GLN . 6.7 tt0 -133.6 96.49 16.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.19 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.44 111.2 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -43.79 -53.29 6.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -49.19 -66.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.9 m -41.32 -39.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.1 mmt -68.37 -52.44 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.17 -57.51 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.8 ptm -49.19 -33.84 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -76.52 -66.04 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.07 -41.18 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -42.7 -45.24 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -47.94 -52.07 21.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -64.39 -50.87 65.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 114' ' ' ARG . 67.9 t80 -42.42 -46.51 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.954 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -74.34 -53.46 9.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 tp -44.77 -53.01 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -72.14 -47.22 52.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 110' ' ' TYR . 53.9 ttt-85 -60.2 93.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.26 -70.59 0.87 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.9 p -81.47 151.36 68.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 132.54 23.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt -100.28 100.38 11.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.472 ' CD ' ' HD2' ' A' ' 120' ' ' PRO . 11.3 tpt180 -71.65 136.36 83.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.472 ' HD2' ' CD ' ' A' ' 119' ' ' ARG . 54.0 Cg_endo -69.76 108.03 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 p -73.23 103.96 4.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -156.88 175.97 13.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.65 -168.67 14.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -91.35 136.55 33.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -86.67 115.3 24.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.75 -127.14 3.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -67.38 119.09 11.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.483 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 39.6 mt -88.64 126.06 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 14.3 mtt85 -71.73 -57.96 3.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 54.1 Cg_endo -69.8 9.6 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.629 2.219 . . . . 0.0 112.395 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.483 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 1.2 t -81.75 -50.44 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -58.26 -50.67 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -52.61 -53.8 41.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 tp -49.78 -53.47 24.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.5 m -45.65 -52.89 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -51.72 -57.84 8.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.2 m -53.25 -45.26 68.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -54.97 -46.14 75.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -61.7 -49.58 75.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -53.99 -46.12 71.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -90.85 34.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -85.24 124.27 31.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.94 -41.43 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -38.34 153.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -95.42 157.55 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 42.67 27.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.9 t -125.95 93.1 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.18 94.53 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -82.36 105.36 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 p -112.51 -38.25 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -123.78 179.03 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mt -114.03 25.58 11.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 p -126.27 -53.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.2 p -83.34 -42.4 17.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -49.79 -32.26 13.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.504 ' CH2' HD23 ' A' ' 106' ' ' LEU . 1.3 m95 -110.68 36.07 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -91.49 -32.88 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -96.3 -37.43 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.13 -36.24 2.65 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.6 mt -38.36 -43.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.56 -63.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.31 -53.92 36.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.1 m -43.02 -35.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.87 -60.9 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.1 mt -43.07 -58.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mt -57.6 -67.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -42.73 -27.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.67 -61.03 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -69.8 -51.05 37.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -126.54 89.46 52.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -10.27 28.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.753 2.302 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -75.62 -19.76 58.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.4 mt -87.09 -37.07 17.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.462 ' CG2' HD13 ' A' ' 60' ' ' LEU . 30.8 mt -135.18 137.0 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 18.3 t-20 -108.93 79.57 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 58' ' ' ASP . 16.5 t80 -45.98 -57.69 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' CG ' ' OD1' ' A' ' 56' ' ' ASN . 3.4 p-10 -37.09 -34.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.427 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 28.2 t -82.58 -48.37 11.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 55' ' ' ILE . 28.9 mt -50.7 112.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.8 t30 -109.97 145.71 36.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 18.1 tt0 -35.0 -57.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.467 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 3.5 t70 -44.38 -42.57 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 52.6 m-20 -79.84 44.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.52 -59.8 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.9 t -47.4 -46.61 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.73 -45.71 77.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.458 ' OD1' ' CD2' ' A' ' 60' ' ' LEU . 92.4 m-20 -51.69 -43.27 62.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -68.48 -60.76 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -48.45 -39.72 23.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 tp -56.95 -67.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.3 -47.01 9.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -57.27 -50.39 73.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.76 -44.36 90.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.64 -39.08 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.58 -24.26 61.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -94.19 -14.03 26.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -100.51 -28.95 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -101.77 -54.82 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -85.92 -18.2 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.24 30.23 69.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.4 HG23 ' CD ' ' A' ' 108' ' ' LYS . 91.0 mt -99.42 121.98 53.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.63 21.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 144.91 55.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.461 HG22 ' N ' ' A' ' 86' ' ' THR . 26.8 m -82.85 -45.36 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.461 ' N ' HG22 ' A' ' 85' ' ' VAL . 8.8 t -127.29 167.56 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.2 p -93.79 139.19 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -38.03 -49.76 2.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -49.32 -63.46 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -55.22 -45.23 75.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.3 tpt -48.47 -51.04 29.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.62 -38.75 64.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -59.48 -64.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.51 117.96 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 28.4 pt20 -64.25 -44.7 90.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 19.8 tt0 -131.73 96.32 21.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 174.58 9.27 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' LYS . 7.6 t0 -76.21 104.08 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' ASP . 18.8 ttmm -37.86 -40.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' VAL . 4.4 mm? -62.54 -66.83 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -38.07 -38.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.1 OUTLIER -72.59 -45.76 57.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 100' ' ' LEU . 84.7 t -63.04 -55.75 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 19.0 ptm -47.17 -36.05 8.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -77.27 -58.49 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.504 HD23 ' CH2' ' A' ' 37' ' ' TRP . 47.4 mt -47.06 -46.16 22.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 m -43.42 -48.58 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.4 ' CD ' HG23 ' A' ' 82' ' ' ILE . 41.9 mttt -43.48 -52.05 6.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -63.86 -48.27 77.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -42.95 -62.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -60.2 -54.65 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -43.81 -63.99 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -59.46 -51.66 68.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -62.9 98.46 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.58 -46.94 29.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.9 p -48.67 144.21 7.15 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 0.0 111.132 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 116.93 4.78 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -49.21 151.84 1.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -76.31 121.03 84.18 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 144.16 52.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 p -159.74 177.35 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -44.98 108.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.94 103.39 1.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 m -89.17 97.96 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.883 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -153.06 131.34 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.15 -157.95 14.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.49 123.95 49.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 37.6 mm -97.13 157.33 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.606 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.5 OUTLIER -86.8 -68.84 0.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.934 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.606 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 54.0 Cg_endo -69.78 -52.33 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.218 . . . . 0.0 112.335 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.449 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 19.3 t -48.84 -58.88 4.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -59.32 -51.71 68.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -42.77 -45.98 5.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.05 -49.65 73.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.4 m -47.49 -54.67 10.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -51.29 -56.26 13.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.2 m -52.32 -49.41 64.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -52.43 -50.94 61.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -51.25 -54.28 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -56.93 -40.01 75.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -91.47 30.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -88.03 124.06 33.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 107.04 -45.27 1.33 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' GLY . 19.3 m-85 -34.84 148.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -85.95 146.61 26.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 47.11 29.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -124.34 93.84 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -114.25 96.62 5.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.8 t -83.13 105.47 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.8 p -116.31 -33.04 5.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.24 -178.79 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mt -119.37 30.26 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 p -127.48 -52.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.6 p -92.3 -40.3 11.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.7 m -50.25 -31.12 13.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 1.5 m95 -112.43 35.84 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -86.92 -34.55 19.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 89.5 p -92.09 -47.85 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 133.42 -37.84 1.94 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.538 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' GLY . 52.5 mt -37.28 -47.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.23 -65.47 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 72' ' ' ALA . 54.9 tp -60.13 -57.51 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.3 m -37.71 -41.13 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.18 78.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.25 -52.33 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.412 ' CD1' HD12 ' A' ' 55' ' ' ILE . 64.0 mt -60.32 -50.65 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 7.1 t-80 -54.71 -44.81 73.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 -42.25 -59.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -73.58 -44.3 57.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -131.33 89.41 41.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.851 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.405 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.76 -11.7 31.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.32 -40.99 42.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.5 mt -59.84 -45.23 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.443 ' CG2' HD13 ' A' ' 60' ' ' LEU . 73.7 mt -121.27 134.55 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.422 ' N ' HG22 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -110.41 87.25 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -53.03 -48.77 67.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -39.55 -37.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -81.51 -45.38 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 HD13 ' CG2' ' A' ' 55' ' ' ILE . 72.4 mt -53.02 119.53 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.535 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 3.9 t30 -99.3 164.96 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 61' ' ' ASN . 29.0 tt0 -69.0 -38.16 79.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.535 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 5.5 t70 -85.1 13.47 6.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -111.73 30.69 6.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.57 -60.85 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.6 t -41.98 -53.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -60.87 -50.37 73.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -46.0 -60.79 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 39' ' ' SER . 84.0 m-20 -55.42 -66.64 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -39.02 -45.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.5 tp -58.0 -62.28 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HB2' ' CD2' ' A' ' 43' ' ' LEU . . . -46.63 -52.41 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -54.05 -48.73 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -56.78 -45.7 81.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.56 -42.4 96.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.23 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -93.76 -12.93 28.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -93.41 -33.14 13.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -103.87 -55.03 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -84.93 -21.57 29.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.46 34.27 84.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 92.9 mt -100.17 122.6 49.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 124.68 11.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.21 42.06 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 105' ' ' TYR . 16.0 m -75.39 -31.35 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.2 t -138.29 160.65 38.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.3 p -95.4 155.99 16.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.86 -46.31 55.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -55.03 -50.48 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -69.77 -30.72 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.1 tpt -68.26 -38.51 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.48 -34.79 47.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.9 p -71.68 -51.68 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.39 109.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.33 -54.21 46.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -130.31 96.84 23.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 177.95 5.06 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.91 126.87 34.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -55.82 -44.22 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.435 ' C ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -57.05 -63.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.0 p -44.97 -29.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -79.19 -44.3 22.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.1 t -66.6 -50.0 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 26.2 ptm -54.03 -36.95 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.433 ' CD1' HG13 ' A' ' 85' ' ' VAL . 54.4 t80 -76.55 -66.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.431 HD21 ' CE3' ' A' ' 37' ' ' TRP . 79.7 mt -42.49 -42.27 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t -43.22 -43.74 4.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -49.11 -51.18 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -66.35 -49.18 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -50.23 -59.81 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.03 -59.09 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.6 tp -44.43 -62.2 1.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -55.54 -49.67 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.9 ttt-85 -44.69 116.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -134.88 -73.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -108.45 140.82 22.13 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.576 0.703 . . . . 0.0 111.126 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 175.84 7.53 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.47 172.45 0.66 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.8 ttm105 -63.26 129.6 93.62 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 178.84 4.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -96.36 121.62 38.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -81.41 110.1 16.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.01 65.67 1.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -143.6 118.99 10.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -115.79 103.08 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.5 -150.44 11.45 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.1 77.62 1.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 mm -107.18 158.82 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.623 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 27.0 mtt180 -88.86 -69.51 0.1 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.4 Cg_endo -69.79 -52.66 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.0 t -48.23 -53.99 15.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -65.21 -54.26 32.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.6 tp -42.75 -49.35 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.3 tp -52.52 -53.0 51.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.8 m -44.13 -51.69 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -54.67 -60.31 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.5 m -48.87 -55.45 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -45.13 -49.53 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' CB ' ' A' ' 23' ' ' GLU . 12.9 mt-30 -60.32 -53.33 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -46.27 -46.45 17.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.9 p -89.64 28.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 17.0 tt0 -78.58 131.23 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 95.62 -42.11 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 11.9 m-85 -37.03 143.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.931 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -88.38 158.22 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 43.51 25.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -127.59 95.43 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -111.16 104.3 12.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.1 t -94.38 117.12 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.5 p -126.69 -31.12 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -128.65 -175.61 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mt -121.45 33.85 5.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 p -132.22 -56.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 p -84.61 -38.97 19.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -49.49 -34.53 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.536 ' CZ3' HD23 ' A' ' 106' ' ' LEU . 1.1 m95 -109.46 36.46 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 ptt85 -89.52 -30.7 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.435 ' CB ' ' HB1' ' A' ' 65' ' ' ALA . 4.9 t -91.9 -49.94 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.82 -37.6 1.92 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 41.1 mt -44.39 -38.52 4.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.9 -64.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.0 tp -63.84 -47.11 82.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.5 m -49.57 -36.76 24.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.557 ' HB2' ' CE2' ' A' ' 25' ' ' TYR . . . -61.46 -54.9 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.7 mt -50.11 -43.48 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mt -68.41 -63.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.416 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 2.6 t-80 -45.15 -48.45 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -60.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -71.58 -51.97 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -124.81 89.43 52.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.416 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.81 -17.97 37.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -64.64 -39.22 93.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.0 mt -73.66 -43.71 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.442 ' CG2' HD13 ' A' ' 60' ' ' LEU . 67.4 mt -132.39 135.96 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.467 ' ND2' ' HG ' ' A' ' 59' ' ' SER . 34.7 t-20 -120.68 93.67 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 41' ' ' LEU . 11.3 t80 -43.76 -60.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -39.56 -36.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.467 ' HG ' ' ND2' ' A' ' 56' ' ' ASN . 5.9 m -82.93 -39.45 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.45 HD21 ' CD2' ' A' ' 71' ' ' LEU . 83.5 mt -56.59 104.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -61.58 108.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -48.47 -29.94 4.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -74.38 -31.71 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -80.01 51.62 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' ' 39' ' ' SER . . . -49.06 -59.82 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t -39.94 -55.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -59.84 -50.68 72.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.433 ' OD1' ' CD2' ' A' ' 41' ' ' LEU . 9.9 m-80 -42.24 -54.9 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -57.76 -67.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -40.89 -42.27 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.45 ' CD2' HD21 ' A' ' 60' ' ' LEU . 54.9 tp -57.05 -65.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.53 -42.69 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.06 -51.98 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.79 -47.19 83.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.77 -44.34 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -71.3 -32.09 68.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -82.88 -12.44 57.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -101.8 -39.27 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -89.59 -55.2 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.458 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 15.2 m-85 -82.62 -25.04 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.31 23.3 68.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.0 mt -93.17 121.4 65.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.11 17.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.278 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 134.9 29.11 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.9 m -70.84 -37.71 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.8 t -129.76 161.15 31.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLY . 73.7 p -89.18 136.36 33.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.17 -49.3 0.84 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -54.64 -56.21 21.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.48 -42.8 92.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.4 tpt -46.84 -44.81 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.75 -36.96 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -59.87 -61.24 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.41 109.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -55.6 -42.68 75.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -133.88 96.2 16.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 171.83 13.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -76.32 129.17 36.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 100' ' ' LEU . 15.4 ptpt -68.92 -40.63 78.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 3.7 mm? -61.04 -59.7 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.6 m -50.74 -38.39 47.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.44 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -65.08 -47.52 76.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.8 t -62.84 -59.45 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.404 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 19.4 ptm -47.09 -42.1 18.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.404 ' N ' ' HG3' ' A' ' 104' ' ' MET . 61.3 t80 -65.03 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.536 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 51.0 mt -47.17 -45.33 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 m -40.49 -41.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -50.51 -52.49 38.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -65.9 -50.22 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.431 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 30.4 t80 -41.7 -50.26 4.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.38 -45.6 72.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.1 tp -51.2 -53.01 39.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -73.39 -51.64 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.431 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 14.3 ttt-85 -83.35 99.5 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 175.55 -81.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -143.72 140.85 17.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.546 0.689 . . . . 0.0 111.186 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 137.17 34.95 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 pp -100.77 135.18 42.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -142.54 142.7 23.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 124.1 10.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -44.02 123.91 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -88.86 146.63 24.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.33 -171.2 23.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -62.63 110.08 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -68.29 139.45 55.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.38 -112.49 3.5 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -76.79 169.78 17.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 17.0 mm -115.67 156.06 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.603 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 4.2 mmm180 -84.63 -68.29 0.16 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.2 Cg_endo -69.77 -51.43 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.615 2.21 . . . . 0.0 112.348 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.44 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 25.0 t -55.13 -46.4 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -65.17 -46.71 79.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.8 tp -53.91 -48.56 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.5 tp -42.24 -47.42 4.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.9 m -44.5 -56.13 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -48.24 -55.81 9.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.1 m -53.5 -52.73 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -48.28 -47.43 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -57.06 -53.24 60.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -55.55 -38.84 69.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.5 p -92.73 33.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.87 125.36 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 104.18 -42.58 1.86 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.548 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 26.8 m-85 -37.26 150.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -95.92 142.71 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 57.6 29.25 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.813 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.43 92.91 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -108.06 96.38 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.3 t -85.57 108.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.8 p -120.83 -27.99 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -131.91 179.78 5.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.429 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 69.9 mt -116.81 25.48 10.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.5 p -130.88 -44.48 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -92.85 -36.52 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.5 m -63.47 -22.39 66.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.459 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 2.5 m95 -117.86 32.53 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -84.57 -42.84 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 t -84.05 -40.72 18.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 125.65 -33.35 3.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 40' ' ' GLY . 72.0 mt -37.46 -46.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.68 -61.27 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' ALA . 58.9 tp -63.18 -58.52 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.7 m -38.2 -31.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.548 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -65.95 -51.53 57.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.3 mt -53.94 -42.22 52.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.97 -63.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.411 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 1.9 t-80 -42.29 -45.0 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -41.13 -62.08 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -69.67 -47.24 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 -129.38 89.47 47.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.578 0.704 . . . . 0.0 110.816 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.75 -13.78 35.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.73 -39.5 73.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.2 mt -65.44 -46.6 79.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.502 ' CG2' ' CD1' ' A' ' 60' ' ' LEU . 66.4 mt -124.85 129.52 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -108.74 84.2 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -41.14 -47.35 3.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -38.28 -44.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -79.4 -46.02 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' A' ' 55' ' ' ILE . 25.5 mt -50.83 105.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.434 ' ND2' ' HB3' ' A' ' 63' ' ' ASP . 1.8 t30 -110.05 146.41 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 4.1 tp10 -39.97 -57.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 38.5 t0 -49.38 -33.54 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 73.9 m-20 -84.17 46.04 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.36 -64.49 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.0 t -39.54 -51.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.88 -45.27 86.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.433 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 98.0 m-20 -52.2 -56.7 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -56.69 -61.28 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -43.23 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.1 tp -54.99 -66.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.87 -48.21 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -58.01 -45.89 86.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.16 -58.19 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.4 t -53.47 -34.17 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.505 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -75.49 -36.25 60.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -80.2 -12.82 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -101.03 -48.31 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.55 ' CD ' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.09 -55.51 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.505 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 4.4 m-85 -82.72 -20.84 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.77 35.37 79.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 75.5 mt -108.04 124.21 35.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 126.04 12.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 132.9 24.29 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.88 -28.55 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.9 t -137.11 160.45 38.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLY . 76.4 p -94.07 139.95 30.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.17 -50.94 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -53.46 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -50.02 -45.79 52.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.3 tpt -48.87 -44.34 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.74 -37.41 35.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 m -46.88 -65.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.68 108.6 8.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -43.95 -56.99 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 0.7 OUTLIER -107.89 108.92 61.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.905 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.4 Cg_endo -69.69 -168.5 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 99' ' ' LYS . 14.7 m-20 -90.44 100.26 13.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 98' ' ' ASP . 28.3 ttpt -34.74 -41.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -68.04 -56.27 9.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -49.21 -38.14 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.8 mmm -69.08 -50.84 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.31 -53.91 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 4.0 ptt? -52.4 -40.17 61.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 104' ' ' MET . 30.8 t80 -68.83 -48.71 62.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.885 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.415 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 53.7 mt -54.07 -43.4 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 p -40.95 -50.56 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -49.18 -49.98 40.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -68.18 -52.2 37.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.512 ' CE2' ' HD3' ' A' ' 114' ' ' ARG . 35.9 t80 -47.13 -54.22 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.14 -44.86 87.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 tp -44.34 -59.08 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.3 -49.59 68.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.512 ' HD3' ' CE2' ' A' ' 110' ' ' TYR . 12.5 ttp85 -42.92 -49.26 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.42 139.29 2.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.5 p -66.86 143.96 98.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.543 0.687 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 177.75 5.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -44.15 147.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -147.75 130.77 8.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -179.55 3.01 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.899 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p -157.94 175.94 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -99.48 -46.83 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.37 124.39 5.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -103.06 -49.13 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -110.76 128.75 55.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.3 -106.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -72.75 128.23 34.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.752 0.311 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 11' ' ' PRO . 5.5 mt -86.78 148.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.473 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 45.7 mtt180 -34.35 -60.45 0.5 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 9' ' ' ILE . 53.5 Cg_endo -69.74 -49.23 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' PRO . 18.6 m -34.19 -56.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -43.1 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -45.15 -49.13 12.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 tp -51.56 -53.59 36.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.3 m -42.49 -55.86 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -53.2 -56.27 17.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.0 m -51.51 -45.58 62.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -54.93 -53.13 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -53.61 -55.93 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -51.76 -51.57 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 28.7 p -104.15 45.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -92.32 -18.68 23.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.19 26.16 12.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 17.6 m-85 -97.93 139.96 32.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -76.87 137.94 39.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 60.43 30.02 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.6 t -128.77 95.97 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -114.15 89.02 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.7 t -72.97 101.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.9 m -109.76 -38.47 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.42 173.58 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.539 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 11.6 mt -107.81 32.56 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.6 p -132.28 -57.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.9 p -83.74 -38.45 21.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.8 m -59.82 -27.23 66.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CZ3' HD22 ' A' ' 106' ' ' LEU . 5.2 m95 -110.87 27.38 9.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -84.14 -37.81 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 32.2 t -88.8 -45.7 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.91 -32.57 3.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.03 -40.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.59 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.08 -54.63 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.405 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 66.9 m -41.33 -40.99 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.492 ' HB2' ' CE2' ' A' ' 25' ' ' TYR . . . -58.09 -51.69 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.4 mt -53.24 -53.74 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -55.79 -58.27 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.483 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 5.3 t-80 -47.01 -45.35 21.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -42.6 -64.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -63.81 -50.06 70.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.9 mmt-85 -132.14 90.31 35.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.75 -8.04 22.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.45 -34.86 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.84 -48.23 55.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 56' ' ' ASN . 55.2 mt -123.97 139.8 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' N ' HG21 ' A' ' 55' ' ' ILE . 62.2 t30 -118.75 94.89 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -48.21 -43.97 32.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.25 -37.15 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.7 t -82.26 -40.48 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 44' ' ' CYS . 68.1 mt -52.47 118.92 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.2 t30 -102.1 118.41 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -40.48 -49.01 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 13.2 m-20 -59.78 -34.36 72.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' ASN . 29.2 m-20 -82.3 49.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' VAL . . . -56.4 -62.0 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ALA . 85.1 t -35.49 -47.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -73.69 -45.83 50.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -49.46 -58.41 5.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' GLN . 81.2 m-20 -56.98 -69.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' ASN . 5.2 mm-40 -36.43 -41.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.21 -58.61 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.21 -43.99 67.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.98 -51.43 69.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -59.83 -43.75 94.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 81.9 t -61.42 -35.51 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -80.1 -36.06 35.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -78.25 -16.41 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -98.14 -37.21 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -93.22 -55.31 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.453 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 14.1 m-85 -82.74 -23.11 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.04 33.91 65.11 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.447 HG22 ' CE ' ' A' ' 108' ' ' LYS . 79.4 mt -105.6 118.82 54.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 122.98 9.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.455 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 53.6 Cg_endo -69.79 136.8 33.83 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.628 2.219 . . . . 0.0 112.337 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.3 m -69.17 -28.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.3 t -135.82 160.09 39.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.2 p -96.53 133.71 40.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.21 -47.76 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -48.37 -53.81 16.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -71.7 -46.37 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.9 tpt -41.29 -43.31 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.27 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -56.5 -59.17 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.28 112.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -51.09 -59.63 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -121.82 96.35 47.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.79 20.54 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.68 132.62 36.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -68.97 -45.8 69.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.12 -62.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.2 t -51.11 -34.23 29.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.46 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -68.95 -50.31 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 104' ' ' MET . 93.2 t -59.38 -63.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.441 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 15.2 ptp -37.47 -38.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.455 ' CE1' ' HA ' ' A' ' 84' ' ' PRO . 71.9 t80 -76.91 -61.04 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.546 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 42.6 mt -39.08 -46.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -43.41 -46.74 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.447 ' CE ' HG22 ' A' ' 82' ' ' ILE . 24.7 mmmt -38.47 -50.57 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.0 -51.46 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.409 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 63.9 t80 -40.39 -46.36 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -73.41 -44.38 58.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.4 tp -49.61 -57.46 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -68.59 -47.5 66.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 65.1 ttp85 -60.1 102.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -85.34 -111.72 0.72 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -77.57 140.89 64.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.722 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.19 39.2 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.709 2.272 . . . . 0.0 112.355 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.2 mt -63.19 169.36 3.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -147.26 114.07 4.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 90.42 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -101.85 137.17 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -90.31 113.88 25.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.71 -170.98 30.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 m -88.15 147.96 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.355 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -153.72 106.33 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.78 130.29 2.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.04 171.15 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.343 . . . . 0.0 110.846 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.496 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 24.8 mm -87.23 152.59 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.568 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 23.1 mtt-85 -84.71 -66.97 0.19 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.649 0.737 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 54.3 Cg_endo -69.73 15.31 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.496 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 10.5 t -89.2 -57.48 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -59.26 -41.85 89.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.17 -58.22 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.73 -48.13 15.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.2 m -45.97 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -46.81 -52.55 13.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.1 m -58.08 -44.18 87.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -58.58 -37.1 75.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -68.15 -47.7 67.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -60.69 -49.34 77.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 19.3 p -65.6 -40.64 92.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' THR . 47.0 tt0 -35.73 129.65 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.54 -44.27 1.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -53.13 171.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -108.33 153.79 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 47.14 26.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.0 t -124.45 95.62 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 12.2 p-10 -112.06 102.95 11.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -90.19 111.11 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.1 p -120.13 -35.5 3.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -125.69 -179.38 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -118.74 25.98 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -130.23 -38.71 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.6 p -99.59 -37.95 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -56.2 -32.82 64.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.455 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 2.3 m95 -106.96 32.74 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -86.07 -37.41 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.2 t -89.61 -41.27 12.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 127.88 -36.93 2.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 57' ' ' PHE . 70.0 mt -35.29 -52.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.46 -61.06 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.46 -59.7 4.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.3 m -42.48 -35.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.1 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.38 -55.34 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.8 mt -64.08 -56.57 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -43.48 -35.69 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.6 tpt85 -63.76 -64.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -62.29 -55.11 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -125.14 89.47 52.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -23.63 30.29 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.22 -32.82 72.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 55.0 mt -76.46 -48.08 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.5 mt -123.58 125.4 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 87.35 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 41' ' ' LEU . 22.1 t80 -37.79 -42.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -35.96 -44.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -78.87 -43.53 24.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.4 mt -51.27 101.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.8 t30 -94.52 139.25 31.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.506 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 21.5 mt-10 -38.65 -58.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.28 -24.78 67.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.5 m-20 -78.92 44.79 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.57 -56.68 15.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.8 t -47.93 -47.39 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.07 -46.94 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 48.4 m-20 -57.79 -58.87 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -49.84 -59.5 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.43 -44.77 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.61 -67.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.49 -37.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -71.8 -54.02 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -51.04 -45.41 61.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.17 -34.71 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -65.61 -33.85 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -90.18 -12.18 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -94.31 -35.82 12.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.26 -55.05 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.441 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 5.2 m-85 -84.75 -23.35 29.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 69.07 34.72 76.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 87.6 mt -102.66 126.05 34.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 133.68 26.07 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 156.18 64.23 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.688 2.259 . . . . 0.0 112.393 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 86' ' ' THR . 16.5 m -98.51 -32.88 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.432 ' N ' HG22 ' A' ' 85' ' ' VAL . 8.0 t -135.33 162.01 33.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.6 p -92.35 136.58 33.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -38.35 -48.3 2.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -52.91 -58.57 6.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -59.11 -43.05 91.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.1 tpt -46.75 -44.74 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.65 -37.68 24.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -61.19 -62.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.13 114.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -62.2 -45.16 94.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -128.03 96.4 31.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.7 6.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.315 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.87 107.55 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -48.45 -54.45 14.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.79 -58.08 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.7 m -48.69 -33.77 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 36.4 mmm -74.62 -49.35 21.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.03 -39.96 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.435 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 22.9 ptm -70.77 -44.28 67.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.435 ' N ' ' HG3' ' A' ' 104' ' ' MET . 92.7 t80 -62.04 -44.61 96.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.04 -45.82 91.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.7 t -39.94 -42.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -51.12 -49.06 61.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -71.95 -44.29 63.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.445 ' CE1' ' HD2' ' A' ' 114' ' ' ARG . 24.5 t80 -52.54 -57.51 9.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -60.43 -56.43 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 tp -46.78 -53.76 11.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -62.88 -51.4 67.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.445 ' HD2' ' CE1' ' A' ' 110' ' ' TYR . 12.0 ttt85 -50.75 -62.42 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 176.81 -115.58 0.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.551 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -97.7 140.88 22.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.71 . . . . 0.0 111.124 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 167.12 25.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.5 mt -89.43 149.38 22.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -56.39 147.06 50.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.567 0.699 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 104.04 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.5 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 p -129.75 127.5 40.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 m -57.94 -52.13 66.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.81 83.14 0.31 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -156.52 169.75 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.822 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 m -118.02 102.36 8.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.76 -130.66 6.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -86.74 162.57 17.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.471 HG23 ' CA ' ' A' ' 12' ' ' SER . 82.7 mt -51.31 118.34 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.497 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 10.2 mtp85 -71.73 -59.26 3.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.571 0.7 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.7 Cg_endo -69.77 4.95 1.89 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.471 ' CA ' HG23 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -45.32 -64.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -57.3 -47.94 80.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -47.45 -56.98 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.4 tp -48.59 -64.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.5 m -39.22 -58.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -45.8 -56.63 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.1 m -56.4 -49.48 74.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -50.2 -52.61 34.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -56.47 -58.22 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' O ' ' NH2' ' A' ' 49' ' ' ARG . 95.4 mm-40 -53.12 -36.24 60.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.2 p -110.15 40.65 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.37 -20.46 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.34 -28.55 30.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.544 ' CE2' ' CD2' ' A' ' 57' ' ' PHE . 13.3 m-85 -53.37 164.2 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -99.27 138.94 35.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 59.73 33.78 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.9 t -121.33 96.95 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -108.97 87.56 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.57 112.18 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -122.09 -32.59 3.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.44 179.98 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.467 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 6.7 mt -117.25 33.42 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -132.79 -60.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -86.01 -36.95 19.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.2 m -56.16 -32.76 64.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.467 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 3.3 m95 -108.56 30.13 6.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -82.52 -37.82 24.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.457 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 97.6 p -80.21 -46.75 15.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.496 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 126.32 -43.95 1.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' GLY . 73.1 mt -35.21 -41.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.02 -68.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.6 -51.82 68.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -41.52 -34.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . . . -66.03 -59.8 3.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.2 mt -42.82 -56.67 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.8 mt -55.91 -63.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 4.5 t-80 -38.65 -46.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 21' ' ' GLN . 7.9 tpp85 -40.15 -59.94 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.724 ' CD1' ' CE1' ' A' ' 113' ' ' PHE . 82.9 m-85 -71.59 -49.1 43.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.454 ' CB ' HD11 ' A' ' 54' ' ' LEU . 1.5 mpt_? -126.51 89.4 52.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.495 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.75 -13.47 34.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -76.66 -39.19 52.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 51' ' ' ARG . 25.5 mt -63.93 -40.91 97.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 56' ' ' ASN . 75.6 mt -131.3 139.0 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.465 ' N ' HG23 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -115.57 80.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.544 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 3.7 t80 -41.83 -63.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -39.15 -38.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.438 ' HB3' ' ND2' ' A' ' 56' ' ' ASN . 15.0 t -77.36 -37.38 52.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 57' ' ' PHE . 74.6 mt -53.27 102.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.69 120.42 11.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 6.0 pt-20 -46.96 -35.14 6.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 4.7 t70 -77.55 -34.97 53.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.58 49.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.83 -53.05 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.4 t -45.58 -57.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.53 -50.91 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -52.07 -45.9 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.496 ' OD1' ' CA ' ' A' ' 40' ' ' GLY . 77.4 m-20 -58.36 -62.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -42.08 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 tp -54.27 -63.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.62 -45.39 57.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.07 -42.6 98.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.27 -57.17 11.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.9 t -50.32 -50.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -53.44 -32.98 52.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.044 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -87.31 -12.44 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -93.07 -32.0 14.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.62 -54.2 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 8.1 m-85 -85.06 -22.91 28.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.51 34.05 67.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.0 mt -101.0 117.44 62.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.08 22.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.56 45.53 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.471 HG22 ' N ' ' A' ' 86' ' ' THR . 27.0 m -80.56 -29.96 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.471 ' N ' HG22 ' A' ' 85' ' ' VAL . 13.9 t -137.88 160.31 39.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 20.3 p -89.36 133.88 34.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.37 -57.08 1.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -45.65 -54.87 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.704 0.288 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -61.1 -38.32 85.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.0 tpt -51.79 -38.4 55.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.32 -36.64 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m -60.62 -66.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.5 121.31 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 16.1 pt20 -62.65 -47.1 85.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 7.4 tt0 -134.98 103.89 10.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.687 0.755 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.5 Cg_endo -69.79 -179.91 3.25 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 99' ' ' LYS . 1.7 m-20 -81.94 102.28 10.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 98' ' ' ASP . 11.5 tmtt? -34.52 -45.65 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.97 -67.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -39.03 -39.06 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.1 mmm -70.57 -57.88 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.8 t -53.64 -56.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 15.6 ptp -46.71 -32.15 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -82.57 -45.44 14.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.81 -52.33 65.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.7 p -39.14 -50.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -38.4 -46.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -73.3 -48.89 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -40.55 -59.91 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -60.54 -49.36 77.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.2 tp -46.3 -57.24 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.724 ' CE1' ' CD1' ' A' ' 50' ' ' PHE . 35.9 m-85 -67.66 -52.04 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 113' ' ' PHE . 20.5 tpt180 -34.5 -50.4 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 147.07 77.95 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -48.65 140.88 10.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 111.139 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 171.9 13.62 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.36 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.07 149.56 46.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -44.76 154.44 0.43 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 151.27 68.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -112.96 -50.62 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 m -130.64 122.2 26.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.77 -78.46 0.52 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.455 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t -44.39 -52.78 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -42.42 112.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.76 161.9 32.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -125.36 169.71 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.319 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.5 HD11 ' CB ' ' A' ' 12' ' ' SER . 60.5 mt -80.2 149.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.589 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 31.3 mtt180 -82.05 -67.5 0.21 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.6 Cg_endo -69.78 -58.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.5 ' CB ' HD11 ' A' ' 9' ' ' ILE . 11.8 t -39.46 -55.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -59.47 -50.92 72.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.3 tp -46.78 -49.58 19.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -53.86 -47.95 70.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.3 m -55.62 -60.82 2.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.428 ' CZ3' ' HA ' ' A' ' 110' ' ' TYR . 89.9 t90 -50.85 -40.89 57.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.97 -43.98 90.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.71 -44.24 90.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -59.87 -60.15 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -46.88 -54.74 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -63.83 -35.62 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -40.02 141.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.34 -41.96 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 14.8 m-85 -52.85 161.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -97.01 145.39 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 51.05 35.76 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.4 t -127.2 96.8 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.434 ' ND2' HG22 ' A' ' 31' ' ' THR . 16.4 t30 -111.36 104.42 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -95.82 110.27 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.434 HG22 ' ND2' ' A' ' 29' ' ' ASN . 36.5 p -119.98 -36.32 3.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -122.02 -176.81 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 mt -117.59 14.45 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -118.23 -40.56 2.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.1 p -99.53 -37.99 8.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -51.45 -32.18 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.553 ' CZ3' HD22 ' A' ' 106' ' ' LEU . 2.9 m95 -108.72 31.38 5.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -86.13 -37.91 18.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.5 t -82.9 -47.7 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 129.66 -41.74 1.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 77.7 mt -34.36 -43.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.91 -60.89 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.06 -60.49 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 94.4 m -42.39 -45.14 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -51.79 -49.54 62.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -57.64 -47.04 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.09 -62.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -45.33 -44.1 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -40.31 -62.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -73.35 -48.25 35.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -122.94 89.48 50.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -19.45 35.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.232 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.14 -42.61 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.5 mt -59.02 -48.55 81.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 56' ' ' ASN . 79.9 mt -125.73 139.73 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' N ' HG22 ' A' ' 55' ' ' ILE . 5.4 t30 -118.34 95.44 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.448 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 17.9 t80 -45.37 -52.57 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -38.3 -29.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' PHE . 29.1 t -85.52 -45.98 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.5 mt -50.45 118.06 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -106.61 119.3 38.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' ASN . 17.4 tt0 -37.44 -50.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -37.26 79.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 61' ' ' ASN . 12.9 m-20 -79.7 49.38 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' VAL . . . -52.33 -61.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' ALA . 98.9 t -37.39 -59.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -57.91 -51.42 69.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -44.52 -56.74 4.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.443 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 73.3 m-80 -58.4 -60.09 4.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -41.31 -42.87 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.2 tp -57.73 -61.82 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.18 -46.29 45.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.091 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 23.7 m-85 -61.51 -47.51 85.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -58.96 -46.91 86.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.8 t -63.08 -35.73 72.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -65.29 -36.17 83.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -92.49 -12.02 33.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -92.61 -34.89 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.86 -55.02 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.545 ' CD1' HD23 ' A' ' 112' ' ' LEU . 19.7 m-85 -86.23 -24.38 26.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 73.45 32.51 59.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.4 mt -96.64 123.09 55.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 132.17 22.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.13 -35.5 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.3 t -137.9 158.05 45.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 88' ' ' GLY . 28.0 p -95.48 143.07 27.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.9 -46.14 0.61 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -57.93 -64.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.73 0.3 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -53.33 -35.26 60.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -55.67 -58.25 8.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.55 87.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 t -59.95 -59.63 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.1 112.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -57.36 -57.49 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -122.81 97.87 43.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 165.69 30.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -75.1 143.15 43.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.1 ptpp? -83.5 -38.57 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.424 HD13 ' C ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -61.54 -49.17 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -62.78 -41.82 99.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.3 mmt -63.81 -47.63 80.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.0 t -63.31 -58.14 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -51.72 -39.35 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -71.05 -50.59 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.553 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 38.0 mt -57.07 -44.55 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -40.94 -46.66 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -43.66 -53.04 6.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -66.7 -52.05 49.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.428 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 4.5 t80 -44.36 -57.39 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -64.74 -48.55 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 80' ' ' PHE . 59.1 tp -45.76 -48.43 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -77.12 -45.28 27.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -41.33 -46.67 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 141.95 100.75 0.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.9 p -85.28 141.61 37.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 0.0 111.123 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 172.94 11.78 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.3 mt -90.06 125.49 35.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.444 ' CG ' ' HD2' ' A' ' 120' ' ' PRO . 42.9 ttp85 -74.56 138.7 74.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 119' ' ' ARG . 53.7 Cg_endo -69.76 107.11 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 2.241 . . . . 0.0 112.294 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.871 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -104.22 112.17 25.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p -76.22 157.95 32.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.75 -50.55 0.89 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -129.85 134.12 47.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 m -106.47 -176.38 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.54 -50.41 0.84 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -127.4 28.13 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 12' ' ' SER . 6.0 mm -107.6 166.91 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.644 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 7.5 mmm180 -95.05 -70.38 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.644 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 54.0 Cg_endo -69.78 -53.85 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.474 ' HB2' ' CG2' ' A' ' 9' ' ' ILE . 12.4 m -38.91 -47.59 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -58.49 -56.6 19.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 tp -48.12 -46.22 33.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.8 tp -49.48 -45.91 47.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -53.11 -55.21 25.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -49.88 -52.46 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.9 m -58.33 -50.07 74.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -56.98 -34.01 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -67.34 -51.44 52.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -57.46 -51.17 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.1 p -65.13 -35.31 80.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -38.44 126.14 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.82 -39.61 2.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -53.9 169.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -102.1 149.13 24.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.4 m170 45.23 34.4 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.3 t -125.8 97.9 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -116.34 107.85 15.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.8 t -98.88 110.98 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.7 p -122.29 -37.65 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.34 140.24 52.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mt -83.78 37.81 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.1 p -134.82 -46.95 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 p -101.64 -21.86 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.552 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 28.0 p -67.45 -14.89 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CD1' ' OG ' ' A' ' 36' ' ' SER . 16.0 m95 -115.34 5.72 14.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -65.34 -40.84 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -76.99 -39.97 48.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.92 -39.72 2.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -38.63 -40.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.26 -61.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.64 -48.72 78.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.3 m -50.01 -40.65 45.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.94 -47.05 87.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.7 mt -59.88 -48.28 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.29 -62.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.463 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 2.2 t-80 -47.2 -44.59 22.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -41.02 -63.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -69.47 -45.84 68.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -128.39 89.49 49.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.463 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 54.5 Cg_endo -69.75 -8.13 22.82 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -76.5 -40.28 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 62.3 mt -63.2 -46.56 86.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.18 143.52 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -118.61 93.33 4.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -47.33 -57.91 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.04 -31.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -86.0 -40.61 15.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.0 mt -53.33 114.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 1.3 t30 -95.77 121.26 37.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 63' ' ' ASP . 2.2 pm0 -46.19 -47.32 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 1.5 m-20 -58.78 -27.94 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -90.65 43.77 1.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.48 -51.44 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.2 t -45.13 -54.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -64.94 -49.65 69.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 88.7 m-20 -47.04 -52.16 15.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -60.89 -62.09 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.03 -48.13 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.3 tp -53.0 -63.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.29 -50.5 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -54.39 -52.06 62.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.26 -54.17 48.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.8 t -50.53 -37.33 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.79 81.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -92.11 -12.17 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -93.35 -34.75 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -102.21 -55.28 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -85.12 -24.02 28.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.32 23.13 74.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 90.5 mt -87.42 124.94 67.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.33 15.84 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 157.15 61.43 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 86' ' ' THR . 31.2 m -99.32 -34.16 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 85' ' ' VAL . 11.8 t -136.61 167.24 21.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 22.2 p -103.79 139.19 39.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.0 -49.3 1.47 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -56.53 -61.04 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -54.16 -32.35 55.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -51.07 50.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.89 -6.72 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -94.32 -49.03 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.6 116.87 10.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -64.29 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.467 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 9.5 tt0 -136.6 104.93 9.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.634 0.731 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 175.9 7.49 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 99' ' ' LYS . 9.0 t0 -78.56 104.36 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 98' ' ' ASP . 38.1 mtmt -34.37 -41.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 101' ' ' SER . 0.7 OUTLIER -67.21 -65.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LEU . 38.8 t -36.96 -45.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.436 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -62.1 -56.41 19.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.6 t -54.63 -62.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.4 ptp -41.47 -28.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -82.05 -56.75 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.517 HD23 ' CZ2' ' A' ' 37' ' ' TRP . 20.5 mt -52.95 -44.36 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -39.83 -50.32 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -50.5 -47.24 57.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -68.52 -56.26 8.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -41.73 -56.04 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -67.98 -46.17 72.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.457 HD22 ' CE1' ' A' ' 113' ' ' PHE . 8.8 tp -46.0 -55.63 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.457 ' CE1' HD22 ' A' ' 112' ' ' LEU . 34.9 m-85 -80.38 -50.28 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.64 118.19 25.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.03 68.78 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -43.43 138.01 2.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.544 0.688 . . . . 0.0 111.168 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 116' ' ' THR . 53.8 Cg_endo -69.78 -175.32 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.3 mp -39.45 124.4 1.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.9 ttm-85 -119.89 94.13 48.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 87.53 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.877 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 m -89.08 42.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -100.23 127.17 46.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.14 134.94 8.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 t -104.74 41.45 1.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 m -144.23 128.82 18.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.24 121.49 4.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.56 148.43 38.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.319 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 25.9 mm -95.6 156.49 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.61 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 25.4 mtt180 -87.65 -69.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 54.3 Cg_endo -69.65 -54.03 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.485 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 28.5 t -43.05 -53.9 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -52.81 -51.44 60.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -49.44 -52.69 27.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.3 tp -53.59 -42.44 67.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -59.8 -49.5 77.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.196 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -58.44 -44.28 89.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.7 m -65.83 -47.71 74.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -51.88 -40.96 61.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -63.28 -53.54 51.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -58.69 -47.86 83.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.1 p -67.82 -31.74 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.148 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -44.41 136.26 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.95 -41.38 2.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -57.34 155.05 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.9 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -94.55 143.94 26.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 57.01 32.92 22.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.6 t -128.87 96.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -110.68 105.72 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.7 t -101.81 104.59 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.5 p -118.69 -35.54 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -121.77 178.94 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 9.6 mt -118.46 34.03 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.98 -54.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.9 p -86.85 -39.36 15.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -56.05 -28.43 57.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.549 ' CZ3' HD23 ' A' ' 106' ' ' LEU . 4.6 m95 -110.08 27.59 9.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -82.5 -37.02 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t -86.9 -45.65 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 128.63 -37.02 2.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' GLY . 54.3 mt -36.12 -51.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.35 -65.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.37 -56.68 18.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.1 m -40.25 -42.11 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.17 86.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.86 -49.22 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.22 -62.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.464 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 5.0 t-80 -41.16 -46.39 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.0 tpt85 -40.73 -63.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.414 ' C ' ' HD2' ' A' ' 51' ' ' ARG . 93.0 m-85 -63.4 -52.33 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 50' ' ' PHE . 7.3 mpt_? -130.39 92.32 35.79 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.75 -8.09 22.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.31 -40.32 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 mt -66.19 -57.97 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 56' ' ' ASN . 67.3 mt -113.35 137.81 45.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.444 ' N ' HG23 ' A' ' 55' ' ' ILE . 48.6 t30 -117.46 84.18 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' ASP . 6.6 t80 -42.0 -52.57 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 57' ' ' PHE . 6.6 m-20 -37.5 -41.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.6 t -80.99 -44.78 17.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.2 mt -50.84 117.41 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.9 t30 -111.1 141.88 44.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.498 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 12.2 mt-10 -42.42 -55.44 3.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.65 -32.75 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 4.2 m-20 -86.21 42.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.0 -49.52 75.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.73 -50.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -65.76 -48.33 72.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 90.5 m-20 -48.89 -58.29 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -51.79 -61.06 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -44.86 -47.93 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.8 tp -53.78 -64.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.21 -48.43 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -59.1 -50.13 75.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -58.17 -56.16 25.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -50.71 -40.63 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -69.07 -31.61 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -83.26 -13.65 54.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -99.42 -33.74 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.16 -55.14 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -84.4 -21.35 30.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 69.35 33.76 73.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.5 mt -102.2 116.87 62.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.4 11.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.318 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.522 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 53.2 Cg_endo -69.81 138.38 37.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.295 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.467 HG21 ' N ' ' A' ' 86' ' ' THR . 34.3 m -81.16 -27.56 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.467 ' N ' HG21 ' A' ' 85' ' ' VAL . 9.0 t -135.63 153.78 51.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLY . 73.0 p -95.68 139.69 31.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.73 -51.01 0.78 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -48.29 -59.15 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.25 -48.19 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.8 tpt -48.18 -42.04 28.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.11 -38.68 24.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -60.52 -60.32 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.34 114.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -55.64 -51.88 65.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -132.28 99.81 15.84 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 179.61 3.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.06 126.34 35.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.466 ' HE2' ' CD2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -60.41 -30.37 69.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 3.4 mm? -67.49 -56.73 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.1 p -53.95 -38.08 64.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 51.5 mmm -70.58 -54.15 13.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.84 -50.98 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 19.7 ptm -54.61 -37.86 66.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.522 ' CE1' ' HA ' ' A' ' 84' ' ' PRO . 60.6 t80 -73.66 -64.69 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.549 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 9.1 mt -46.75 -44.56 19.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.1 m -44.49 -46.0 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -47.28 -40.25 16.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -77.13 -49.42 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -43.03 -53.38 4.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.67 -52.48 30.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 117' ' ' PRO . 22.2 tp -43.93 -48.73 8.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -72.49 -50.71 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -44.13 -45.62 8.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -136.11 -145.13 5.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 p -90.93 154.68 45.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.0 111.145 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.435 ' HB3' ' CD1' ' A' ' 112' ' ' LEU . 54.0 Cg_endo -69.75 118.13 5.5 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.37 130.09 44.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -109.19 113.65 58.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.87 49.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 m -58.64 168.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -119.82 121.32 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.23 95.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -90.47 85.43 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 m -104.76 81.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.07 -68.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -44.28 166.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.466 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 50.9 mm -94.55 153.3 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.621 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 20.4 mtt180 -95.3 -69.56 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.621 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.7 Cg_endo -69.75 16.94 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.495 ' H ' ' C ' ' A' ' 10' ' ' ARG . 3.8 p -75.21 -42.35 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -77.45 -43.17 33.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 tp -53.39 -51.44 62.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 tp -47.52 -47.55 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.6 m -52.58 -49.7 64.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -55.46 -57.23 12.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.9 m -55.87 -40.03 72.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -63.47 -43.85 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -60.4 -48.35 82.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.18 -49.55 75.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 p -67.35 -26.86 66.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -48.19 144.6 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.04 -41.26 2.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.96 162.33 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.956 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -97.9 154.84 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 43.5 27.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.8 t -123.34 93.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -110.83 109.38 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.9 t -103.53 100.68 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.3 p -112.1 -34.75 5.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -125.04 179.64 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.6 mt -116.14 25.25 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 p -124.61 -62.05 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.3 p -81.61 -43.33 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -48.98 -37.91 21.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.492 ' CZ3' HD22 ' A' ' 106' ' ' LEU . 5.2 m95 -102.26 31.82 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -87.2 -36.94 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -79.9 -40.15 28.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.23 21.26 10.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.5 mt -94.75 -40.01 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.8 -51.17 66.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' A' ' 72' ' ' ALA . 63.4 tp -60.19 -50.63 72.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.4 m -51.31 -41.71 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.68 83.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.53 -51.5 71.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.5 mt -65.19 -55.62 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -49.62 -49.46 46.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -40.08 -56.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -73.02 -48.61 34.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -127.35 89.82 50.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.77 29.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -75.25 -36.98 61.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.35 -43.6 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.44 ' CG2' HD12 ' A' ' 60' ' ' LEU . 76.1 mt -128.0 135.19 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.413 ' N ' HG21 ' A' ' 55' ' ' ILE . 16.8 t30 -117.55 93.22 4.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LEU . 34.5 t80 -44.48 -55.66 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PHE . 11.8 m-20 -36.01 -37.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -81.27 -41.8 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' PHE . 64.9 mt -52.46 119.86 4.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.2 t30 -105.94 118.93 37.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -41.16 -48.77 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -33.67 71.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' ASN . 46.3 m-20 -84.99 46.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.58 -60.92 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.062 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.1 t -39.91 -46.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.46 -44.53 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -56.61 -59.28 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -52.78 -61.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.85 -45.63 7.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.5 tp -54.71 -68.92 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -39.66 -44.89 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -63.05 -53.62 50.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -55.15 -44.46 75.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.56 -41.32 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -71.75 -31.71 66.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -83.45 -13.05 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -101.55 -34.92 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -93.76 -55.01 3.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 10.9 m-85 -83.55 -22.0 32.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.73 31.78 60.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.8 mt -103.49 122.32 45.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 128.79 16.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 144.62 54.44 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 86' ' ' THR . 32.2 m -85.28 -30.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.428 ' N ' HG23 ' A' ' 85' ' ' VAL . 14.5 t -136.77 154.95 50.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.0 p -95.94 138.64 33.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.9 -48.54 1.38 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.22 -53.3 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.26 -41.42 66.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.1 tpt -50.79 -39.11 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.34 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 m -61.78 -59.07 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.17 125.34 15.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -68.3 -56.44 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -124.24 97.24 40.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.657 0.741 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 173.18 11.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.254 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.35 124.34 27.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -26.37 67.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.14 -55.34 7.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.4 t -57.28 -29.93 64.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 47.1 mmm -79.07 -53.05 7.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.63 -40.49 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 3.6 ptt? -66.39 -41.16 89.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.417 ' N ' ' HG3' ' A' ' 104' ' ' MET . 56.8 t80 -67.44 -53.77 26.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.492 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 71.5 mt -50.53 -47.12 57.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.3 m -44.12 -34.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -49.0 -50.01 38.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -77.81 -50.51 12.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -39.45 -49.21 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.1 -54.11 16.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.3 tp -45.39 -50.66 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -76.2 -52.1 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.516 HH11 ' N ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -90.77 102.35 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.516 ' N ' HH11 ' A' ' 114' ' ' ARG . . . 155.32 -83.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -44.9 140.86 3.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 153.91 68.55 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.734 2.29 . . . . 0.0 112.358 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.16 138.82 31.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -94.59 148.17 34.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.77 15.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -163.14 164.63 25.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.856 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 t -57.99 94.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.27 -163.18 17.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' SER . 32.1 t -129.78 -62.04 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 5' ' ' SER . 54.5 p -34.47 137.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.5 -168.5 40.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -112.74 -175.11 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.311 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.476 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -114.38 166.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.549 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 18.1 mmt-85 -78.26 -65.83 0.32 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.825 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.7 Cg_endo -69.71 2.36 3.57 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.476 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 25.7 t -96.64 -36.5 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -93.31 -26.22 17.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.421 ' CD2' HG13 ' A' ' 103' ' ' VAL . 29.2 tp -66.63 -40.77 88.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.4 tp -52.91 -54.15 38.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.5 m -45.54 -60.07 2.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -42.84 -57.63 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 70.7 m -52.07 -57.4 9.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -47.65 -43.24 26.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.74 -53.26 57.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -53.86 -44.53 70.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.1 p -83.85 21.3 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -82.55 129.96 35.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.66 -45.44 1.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -48.46 148.29 2.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -94.91 151.55 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 58.35 25.48 12.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.5 t -127.9 99.15 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -115.22 103.85 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.56 107.76 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.6 p -118.99 -25.47 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -132.98 -175.1 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.6 mt -120.6 29.98 7.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -127.43 -70.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -82.0 -29.49 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.2 m -58.81 -15.38 12.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.54 ' CZ3' HD23 ' A' ' 106' ' ' LEU . 6.1 m95 -124.54 29.72 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -89.78 -35.47 15.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.2 t -76.37 -36.22 58.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.39 -20.75 32.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.98 -14.76 51.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.55 -59.9 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.4 tp -69.95 -44.51 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 74.4 m -53.71 -30.97 46.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.5 -48.13 67.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.9 mt -58.59 -39.46 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.8 mt -72.85 -51.87 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -67.53 -15.57 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -75.93 -56.64 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.709 ' CE1' ' CG ' ' A' ' 51' ' ' ARG . 1.2 p90 -79.87 -38.88 31.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.709 ' CG ' ' CE1' ' A' ' 50' ' ' PHE . 7.2 mmp_? -135.0 89.56 23.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -23.81 30.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.98 -27.82 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 mt -82.74 -47.54 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mt -130.92 149.2 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.405 ' ND2' ' HB2' ' A' ' 59' ' ' SER . 0.2 OUTLIER -130.92 100.87 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -48.42 -41.98 30.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -43.93 -45.39 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.405 ' HB2' ' ND2' ' A' ' 56' ' ' ASN . 74.4 m -79.76 -21.61 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 44' ' ' CYS . 81.4 mt -71.91 118.08 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.3 t30 -102.8 120.82 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -43.99 -48.37 8.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -59.52 -30.17 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ASN . 6.3 m-20 -85.52 59.37 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.813 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.66 80.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -52.25 -53.13 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -67.28 -45.44 76.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -50.69 -58.1 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 74.0 m-80 -55.01 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -40.28 -47.65 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.4 tp -53.5 -68.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.96 -50.16 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.463 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 14.8 m-30 -57.45 -48.57 78.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -58.8 -44.82 90.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.9 t -58.03 -37.44 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' PHE . . . -65.59 -59.66 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -65.2 -14.4 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.8 ttt85 -89.83 -37.51 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -105.23 -53.64 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.515 ' CD1' HD23 ' A' ' 112' ' ' LEU . 6.1 m-85 -82.58 -15.49 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 70.23 4.17 49.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.452 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 108' ' ' LYS . 53.9 mt -74.07 120.89 83.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 111.127 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.24 35.02 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.27 69.17 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.356 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.9 m -98.25 -29.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -138.28 154.84 49.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 80.8 p -89.25 132.77 34.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.46 -47.74 1.61 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -55.23 -61.32 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.713 0.292 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.32 -42.39 73.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -47.51 -56.76 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.75 61.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -57.92 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.33 107.89 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -51.97 -65.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.38 99.05 48.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.695 0.759 . . . . 0.0 110.834 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -176.26 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -82.71 116.67 22.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -43.33 -36.93 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 102' ' ' MET . 1.4 mm? -67.63 -67.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' LEU . 34.7 m -36.72 -30.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -81.71 -49.15 10.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.421 HG13 ' CD2' ' A' ' 14' ' ' LEU . 58.3 t -62.58 -49.47 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.451 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 10.7 ptp -53.38 -36.29 61.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.451 ' N ' ' HG3' ' A' ' 104' ' ' MET . 28.3 t80 -75.15 -40.97 59.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.54 HD23 ' CZ3' ' A' ' 37' ' ' TRP . 41.0 mt -63.07 -26.72 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.1 m -60.13 -42.02 93.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.442 ' H ' ' CD ' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -54.45 -40.02 67.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -81.22 -55.52 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -39.68 -49.77 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -68.56 -42.79 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.515 HD23 ' CD1' ' A' ' 80' ' ' PHE . 13.2 tp -55.55 -44.89 77.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.416 ' CE2' ' CD2' ' A' ' 50' ' ' PHE . 3.4 m-85 -73.34 -52.44 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -74.48 108.08 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -143.55 73.34 0.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.2 t -140.3 140.99 24.53 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.565 0.698 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 171.42 14.47 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 pp -69.72 157.63 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -127.08 142.88 45.07 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.638 0.733 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 109.64 2.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.25 . . . . 0.0 112.385 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -93.19 118.97 31.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -78.22 99.8 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.8 52.6 0.32 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -103.9 142.03 35.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.369 . . . . 0.0 110.814 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -101.2 140.29 35.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.99 -145.4 18.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -146.78 136.78 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -76.55 115.72 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 41.8 mtm180 -70.98 -58.39 4.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.578 0.704 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.9 Cg_endo -69.79 15.89 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.694 2.262 . . . . 0.0 112.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 10' ' ' ARG . 88.8 p -58.98 -64.57 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.46 -54.97 18.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.9 tp -44.56 -56.69 4.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 tp -49.94 -52.34 34.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -39.46 -60.81 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 47.6 t90 -51.84 -61.54 2.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 70.9 m -45.34 -42.35 9.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -69.12 -43.02 75.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -60.21 -50.41 73.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.409 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 4.2 mm100 -64.24 -47.53 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.7 p -64.54 -35.03 79.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -39.54 137.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.34 -44.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -49.8 144.64 6.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -84.41 138.68 32.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 m170 61.73 26.39 16.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -126.97 92.46 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -108.84 85.12 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.8 t -75.8 106.53 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 38.8 p -117.33 -33.97 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -122.03 -177.84 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 20.9 mt -117.06 14.11 14.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 p -117.17 -60.9 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -77.32 -46.1 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -48.15 -34.49 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.549 ' CZ3' ' CD2' ' A' ' 106' ' ' LEU . 1.4 m95 -109.46 36.13 3.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -85.39 -39.06 18.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -87.89 -41.54 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 128.88 -36.06 2.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' GLY . 62.5 mt -36.08 -53.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.47 -61.28 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.3 tp -64.94 -46.94 79.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 83.8 m -50.77 -34.12 26.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.34 -48.37 81.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -57.54 -50.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.92 -58.79 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -50.5 -43.82 55.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.9 tpt85 -41.56 -63.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CD1' ' CE1' ' A' ' 113' ' ' PHE . 78.0 m-85 -70.03 -48.44 57.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -128.9 89.47 48.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.709 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -13.97 35.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.65 2.233 . . . . 0.0 112.401 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.14 -36.0 71.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.0 mt -67.56 -44.74 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.7 mt -130.2 133.05 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -111.75 96.63 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.464 ' HA ' ' CD1' ' A' ' 60' ' ' LEU . 4.8 t80 -47.3 -48.51 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -45.28 -36.11 3.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.5 t -83.58 -37.39 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 57' ' ' PHE . 72.8 mt -52.82 118.58 3.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 1.1 t30 -100.66 113.24 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -43.16 -46.0 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 5.4 t70 -61.16 -31.91 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' ASN . 12.6 m-20 -88.09 45.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.34 -55.17 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -43.35 -57.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -58.32 -49.9 75.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -51.0 -59.96 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' GLN . 61.4 m-20 -51.25 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' ASN . 3.7 tp60 -36.37 -47.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.64 -61.68 2.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.84 -52.47 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 22.7 m-85 -56.61 -48.41 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.57 -59.32 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.1 t -47.75 -41.46 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -66.79 -34.41 77.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -80.32 -15.8 56.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -98.55 -27.93 13.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -105.41 -55.22 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.499 ' CD1' HD21 ' A' ' 112' ' ' LEU . 16.4 m-85 -83.77 -20.69 32.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 68.55 36.91 84.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.438 HD12 ' CE1' ' A' ' 109' ' ' PHE . 82.4 mt -108.87 124.12 35.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 111.127 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.8 41.17 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 152.8 69.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.6 m -97.83 -32.65 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.4 t -138.17 162.41 34.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.7 p -89.8 140.05 29.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.34 -36.49 4.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.44 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -62.51 -50.93 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -68.57 -39.5 80.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.3 tpt -51.41 -43.53 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.38 -38.76 15.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -60.59 -61.26 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.84 116.55 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -50.98 -58.34 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -127.22 105.83 21.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 176.75 6.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.52 142.56 39.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -77.99 -30.39 50.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -73.76 -65.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 104' ' ' MET . 32.6 m -41.04 -40.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.46 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -61.62 -57.76 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 106' ' ' LEU . 77.9 t -52.61 -65.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 101' ' ' SER . 14.4 ptp -35.87 -32.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' VAL . 41.6 t80 -84.52 -42.42 15.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.549 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 20.4 mt -64.08 -49.08 73.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.2 p -45.58 -52.07 11.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.17 -44.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.438 ' CE1' HD12 ' A' ' 82' ' ' ILE . 23.3 m-85 -74.66 -46.57 37.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -42.19 -58.25 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.95 -57.46 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.499 HD21 ' CD1' ' A' ' 80' ' ' PHE . 16.6 tp -45.26 -62.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 50' ' ' PHE . 30.8 m-85 -56.87 -51.39 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -49.48 -70.02 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 173.31 -123.31 0.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -138.72 140.87 28.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 166.21 28.37 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.383 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 17.4 mt -145.87 152.53 39.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -143.28 143.72 25.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 150.91 68.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.875 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 t -132.43 106.19 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 110.876 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p -173.69 168.33 4.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.82 105.78 0.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -94.96 145.11 25.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -142.3 139.12 31.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.93 -111.32 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -68.69 169.9 10.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.769 0.318 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.485 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 20.5 mt -77.07 120.53 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.541 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 33.9 mtt180 -71.76 -56.89 4.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.9 Cg_endo -69.76 14.89 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' ARG . 1.8 t -88.55 -56.24 3.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -60.02 -45.92 91.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.435 ' CD1' ' CB ' ' A' ' 110' ' ' TYR . 27.6 tp -48.19 -62.12 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.5 tp -39.94 -51.31 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.8 m -43.96 -58.02 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -49.64 -61.77 1.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.4 m -46.87 -51.47 16.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.78 -45.04 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -63.14 -55.83 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -49.02 -44.64 41.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.8 p -93.44 36.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -91.54 117.58 29.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 113.39 -46.13 1.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' GLY . 8.8 m-85 -36.04 148.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.959 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.01 146.7 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 m170 54.74 31.76 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.0 t -128.24 93.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.89 111.97 23.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -101.14 104.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.8 p -111.93 -38.89 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -128.59 -175.67 3.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 21.4 mt -114.74 19.62 15.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 p -130.91 -32.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.9 p -97.3 -47.79 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.549 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 20.3 p -58.73 -11.73 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.549 ' CD1' ' OG ' ' A' ' 36' ' ' SER . 10.1 m95 -119.08 18.12 13.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -74.55 -43.68 54.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.476 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 16.2 t -78.03 -40.83 37.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 118.14 -38.15 3.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.448 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 67.0 mt -36.39 -56.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -33.99 -67.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.97 -52.2 65.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 81.2 m -46.79 -37.35 8.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.31 -48.68 80.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.61 -43.02 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.5 mt -71.95 -56.62 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -49.5 -47.98 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -64.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -69.3 -51.03 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -124.15 90.59 50.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.51 29.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.81 -30.82 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.6 mt -72.6 -44.43 62.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 56' ' ' ASN . 80.8 mt -131.44 134.38 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' N ' HG22 ' A' ' 55' ' ' ILE . 40.9 t30 -109.2 88.1 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 41' ' ' LEU . 8.0 t80 -46.15 -52.32 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -39.75 -38.56 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -77.51 -41.85 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 57' ' ' PHE . 57.6 mt -50.39 119.72 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -110.08 119.11 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 63' ' ' ASP . 2.7 pp20? -35.01 -52.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.453 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 26.6 t70 -55.19 -41.9 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ASN . 17.9 m-20 -79.76 43.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' VAL . . . -47.63 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' ALA . 92.4 t -37.39 -57.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -56.99 -50.46 72.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -52.5 -59.41 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 39' ' ' SER . 58.1 m-20 -55.44 -59.46 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -46.42 -46.05 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.5 tp -51.52 -64.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.78 -50.44 25.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -54.85 -49.3 71.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.86 -43.04 99.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.9 t -64.97 -36.8 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -70.68 -30.67 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -86.21 -15.96 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.13 -33.26 10.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -97.53 -55.09 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -86.48 -23.12 26.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 72.88 30.57 63.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.449 HD13 ' CE1' ' A' ' 109' ' ' PHE . 50.6 mt -100.74 120.73 54.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.158 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.79 11.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 142.79 48.85 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.2 m -79.84 -31.0 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -138.14 158.3 44.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.9 p -96.36 139.58 32.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.58 -48.35 1.26 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -47.97 -52.31 20.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.91 -42.33 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.5 tpt -47.82 -39.8 19.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.78 -38.74 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -62.94 -61.77 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.25 112.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -43.25 -57.25 3.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -135.52 114.79 11.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.645 0.736 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.75 10.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.84 127.57 32.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -60.52 -46.2 91.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.39 -66.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 104' ' ' MET . 7.5 t -40.67 -43.42 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 55.1 mmm -67.06 -54.2 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.34 -47.84 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 18.1 ptp -60.68 -40.61 92.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 104' ' ' MET . 51.4 t80 -66.36 -57.78 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.464 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 52.9 mt -50.03 -50.07 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 t -42.42 -36.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -54.37 -45.05 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.449 ' CE1' HD13 ' A' ' 82' ' ' ILE . 30.2 m-85 -77.33 -44.61 28.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.435 ' CB ' ' CD1' ' A' ' 14' ' ' LEU . 7.7 t80 -43.81 -59.03 2.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -68.47 -43.35 77.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.5 tp -43.76 -46.4 7.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -92.93 -52.21 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -55.55 -65.22 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -175.53 109.28 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.5 p -74.87 150.98 86.43 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 130.68 19.79 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.8 mt -102.08 42.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -100.37 130.51 25.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 148.44 64.81 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.689 2.26 . . . . 0.0 112.308 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.905 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -135.45 173.38 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.959 0.409 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -88.45 160.13 17.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.14 160.06 0.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -140.72 159.07 43.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.919 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -47.01 134.99 9.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.59 -65.44 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.3 40.6 11.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -82.13 132.62 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.514 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 42.5 mtm-85 -69.05 -58.33 6.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 54.0 Cg_endo -69.75 10.67 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -51.1 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -51.89 -56.34 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 tp -49.2 -51.77 30.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.1 m -45.72 -59.61 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -49.29 -52.44 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.5 m -54.52 -51.55 64.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -48.44 -47.0 38.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -58.0 -49.09 78.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -55.4 -49.06 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.0 p -85.71 34.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -83.32 137.08 34.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 90.01 -41.29 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.541 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' GLY . 22.3 m-85 -36.74 135.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -82.71 144.38 30.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 58.45 25.23 12.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -125.66 100.64 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -118.68 90.13 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.2 t -76.96 123.04 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.462 HG21 ' N ' ' A' ' 32' ' ' ASP . 8.3 t -131.49 -32.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.462 ' N ' HG21 ' A' ' 31' ' ' THR . 0.7 OUTLIER -133.85 -175.21 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.507 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 12.1 mt -119.91 32.98 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.1 p -128.18 -57.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.2 p -86.06 -42.71 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.4 m -52.51 -32.29 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.507 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 2.8 m95 -109.72 33.25 4.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.7 ptt-85 -87.24 -39.11 15.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 47.7 t -87.62 -39.3 15.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 124.71 -36.12 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' GLY . 93.6 mt -35.71 -48.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.8 -63.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' A' ' 109' ' ' PHE . 44.7 tp -61.61 -55.21 33.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.3 m -43.45 -34.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.06 -49.04 77.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -57.64 -55.11 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.0 mt -55.74 -61.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -38.56 -49.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -45.69 -56.71 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -68.96 -54.57 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -126.17 89.39 52.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -6.47 18.66 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -80.79 -38.04 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.2 mt -68.22 -42.9 79.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 56' ' ' ASN . 68.4 mt -125.51 140.84 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.424 ' N ' HG22 ' A' ' 55' ' ' ILE . 7.3 m-20 -114.35 79.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -40.78 -46.92 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.91 -38.56 70.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' ASN . 5.6 t -80.23 -32.73 38.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.1 mt -54.91 118.89 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.5 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 1.0 OUTLIER -102.49 117.92 35.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.446 ' N ' HD21 ' A' ' 61' ' ' ASN . 1.4 pt-20 -39.55 -49.28 2.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.5 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 19.2 t0 -55.53 -36.91 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -81.55 40.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.96 -47.52 52.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.8 t -48.71 -53.19 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -65.39 -47.23 77.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -51.52 -55.44 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 39' ' ' SER . 67.3 m-20 -57.38 -63.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -44.88 -39.87 5.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.88 -66.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.13 -44.38 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -64.57 -54.33 33.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.92 -44.51 70.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.38 -38.57 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.92 59.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.069 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -95.89 -11.87 26.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -103.75 -34.0 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.73 -45.25 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 4.3 m-85 -98.09 -23.07 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.84 54.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.9 mt -99.75 119.63 59.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 124.87 11.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.32 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.66 51.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 86' ' ' THR . 28.2 m -80.87 -31.17 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 85' ' ' VAL . 9.4 t -136.05 152.19 50.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 88' ' ' GLY . 71.1 p -94.8 132.92 39.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.92 -49.05 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -64.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -65.43 -46.41 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.6 tpt -41.2 -52.8 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.78 90.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.6 m -57.48 -61.69 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.28 124.34 15.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -69.55 -51.63 33.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -125.02 103.52 30.36 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -176.11 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' LYS . 2.2 m-20 -88.88 104.78 17.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' ASP . 14.0 ttmt -38.1 -40.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.439 ' N ' HD21 ' A' ' 100' ' ' LEU . 4.3 mm? -60.25 -67.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 t -38.76 -44.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.7 mmm -65.66 -48.56 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.6 t -60.04 -50.81 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.6 ptm -60.55 -39.09 86.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.46 -44.89 73.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.411 HD21 ' CH2' ' A' ' 37' ' ' TRP . 20.1 mt -53.76 -51.77 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.5 p -39.88 -39.15 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -43.71 -47.19 7.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 43' ' ' LEU . 30.3 m-85 -84.17 -50.78 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 77.1 t80 -39.8 -54.84 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -60.1 -58.59 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.2 tp -45.14 -61.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -58.13 -52.29 66.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 26.1 ttp180 -68.08 103.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.55 72.35 0.43 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -136.49 140.87 33.64 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.567 0.699 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 112.23 3.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -72.23 153.81 41.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -96.5 140.22 22.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 133.22 24.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.297 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.893 0.377 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -67.04 -43.99 81.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -51.12 -56.52 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 tp -42.34 -58.09 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' TRP . 17.4 m -38.34 -69.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' THR . 57.1 t90 -37.44 -59.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.6 m -52.13 -57.58 9.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -51.3 -36.57 43.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -66.9 -49.97 63.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -59.39 -47.25 86.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.0 p -70.99 -24.95 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -47.19 133.96 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.07 -48.09 1.0 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -46.43 169.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 28' ' ' VAL . 25.7 mp0 -109.89 147.77 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 56.01 25.5 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 26' ' ' GLN . 95.9 t -128.27 96.78 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -112.63 100.74 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.69 113.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.7 p -119.92 -22.33 6.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.79 -175.18 3.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.3 mt -119.62 33.17 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 p -128.85 -74.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t -76.26 -29.33 57.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.508 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 5.8 m -55.04 -14.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.459 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.4 m95 -127.34 29.47 5.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -84.84 -22.63 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.831 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.2 t -96.78 -27.62 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 106.14 -39.73 2.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.447 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 85.7 mt -37.36 -49.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -42.05 -63.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 tp -59.86 -57.34 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.609 ' HB3' HG21 ' A' ' 55' ' ' ILE . 67.6 m -41.27 -40.66 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.0 -47.56 84.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.8 mt -59.26 -47.4 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.415 ' HB ' HD12 ' A' ' 55' ' ' ILE . 58.2 mt -63.19 -69.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.484 ' ND1' ' C ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -39.51 -40.58 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -44.12 -52.66 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.14 -43.75 21.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.679 ' HB2' HD12 ' A' ' 54' ' ' LEU . 25.1 mmt85 -131.16 89.54 41.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.81 31.71 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.467 ' OE1' ' CA ' ' A' ' 51' ' ' ARG . 1.1 pm0 -67.72 -15.43 63.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.679 HD12 ' HB2' ' A' ' 51' ' ' ARG . 23.5 mt -88.84 -50.63 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.609 HG21 ' HB3' ' A' ' 44' ' ' CYS . 91.5 mt -121.8 135.6 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -115.26 87.43 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.593 ' HA ' HD12 ' A' ' 60' ' ' LEU . 4.2 t80 -46.83 -37.44 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -46.3 -41.9 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.1 t -81.69 -28.59 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 57' ' ' PHE . 73.7 mt -64.56 101.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.518 ' ND2' ' HG3' ' A' ' 62' ' ' GLU . 2.0 t-20 -98.49 131.55 44.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.518 ' HG3' ' ND2' ' A' ' 61' ' ' ASN . 1.2 pp20? -35.01 -53.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -51.87 -42.05 62.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' ASN . 94.0 m-20 -79.06 49.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.22 -57.23 13.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -43.87 -54.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.39 -44.89 93.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.434 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 52.4 m-20 -54.86 -30.41 57.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -81.8 -58.81 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -45.92 -42.6 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.7 tp -53.38 -62.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.38 -50.01 63.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -52.09 -61.08 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.34 -55.91 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -48.71 -44.61 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -69.09 -26.89 65.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -87.27 -15.0 39.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -97.15 -33.62 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -98.28 -55.35 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -85.95 -24.04 26.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 77.57 16.71 79.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.4 mt -87.55 112.27 47.35 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.723 . . . . 0.0 111.121 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 135.62 30.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.51 28.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.623 2.215 . . . . 0.0 112.364 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.82 -32.52 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.481 HG21 ' SD ' ' A' ' 91' ' ' MET . 5.4 t -127.34 161.58 28.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLY . 75.5 p -92.51 136.48 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.4 -50.17 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -55.81 -52.56 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.57 -40.84 93.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.481 ' SD ' HG21 ' A' ' 86' ' ' THR . 9.3 tpt -54.02 -45.62 71.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.86 -38.32 38.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -60.37 -58.69 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.65 126.63 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.111 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -74.14 -52.91 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 32.8 tt0 -128.35 96.51 30.64 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.621 0.725 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.4 Cg_endo -69.78 -178.23 2.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.733 2.289 . . . . 0.0 112.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.67 107.31 18.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 103' ' ' VAL . 36.2 ttpt -44.61 -31.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.72 -66.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.6 m -46.5 -28.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.9 mmm -74.22 -54.44 7.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 99' ' ' LYS . 53.9 t -53.28 -52.47 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 17.8 ptp -51.35 -36.73 44.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.412 ' N ' ' HG3' ' A' ' 104' ' ' MET . 56.7 t80 -75.63 -58.93 2.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.6 mt -49.8 -42.48 46.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.3 m -43.4 -49.12 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -48.62 -41.3 30.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -73.26 -27.51 61.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -71.62 -50.43 30.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.31 -41.21 70.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.27 -37.25 72.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -86.71 -48.89 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.989 0.423 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -47.9 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.426 HD21 ' CD1' ' A' ' 106' ' ' LEU . 13.8 tp -53.33 -48.99 68.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.8 tp -48.96 -50.34 36.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -50.02 -61.42 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -45.77 -48.8 15.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.7 m -64.12 -38.77 92.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -62.12 -43.19 99.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -62.44 -57.78 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -49.53 -50.42 41.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' GLU . 41.2 p -67.55 -37.85 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' THR . 9.7 tt0 -37.29 133.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.05 -42.71 1.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -54.99 166.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.848 ' O ' HG23 ' A' ' 28' ' ' VAL . 2.4 mp0 -99.1 154.93 17.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 43.11 28.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 26' ' ' GLN . 83.8 t -125.18 97.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -117.45 99.34 6.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -89.32 112.49 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.0 p -120.92 -37.43 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -124.16 -178.61 4.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -119.7 31.01 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 p -132.68 -44.94 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.5 p -96.62 -40.37 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -54.67 -32.39 59.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.485 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.9 m95 -110.41 34.88 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.473 ' HA ' ' HE3' ' A' ' 91' ' ' MET . 14.4 ptt180 -86.12 -36.33 19.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 t -89.69 -39.09 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 125.2 -36.69 2.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 73.4 mt -34.62 -56.09 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.12 -57.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.07 -59.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.0 m -40.79 -39.64 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.96 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.3 -56.11 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.62 ' HB ' HD12 ' A' ' 55' ' ' ILE . 17.2 mt -60.34 -65.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -41.54 -42.46 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -49.26 -62.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -66.31 -53.7 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.3 mmt-85 -121.47 89.51 47.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.49 37.03 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.762 2.308 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -70.26 -29.0 65.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.473 HD13 ' HG3' ' A' ' 79' ' ' GLU . 74.0 mt -74.35 -59.41 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.62 HD12 ' HB ' ' A' ' 47' ' ' ILE . 90.4 mt -110.91 140.67 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -115.37 87.63 2.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.471 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 19.0 t80 -53.51 -40.28 65.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -40.47 -42.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -80.18 -47.38 14.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.755 HD21 HD22 ' A' ' 71' ' ' LEU . 71.0 mt -51.54 113.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.476 ' ND2' ' HB3' ' A' ' 63' ' ' ASP . 1.8 t30 -113.67 144.75 42.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -42.2 -55.72 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.476 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 23.7 t70 -45.99 -33.33 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 1.4 m-20 -92.34 75.53 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.78 -56.57 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.619 HG11 ' HE2' ' A' ' 89' ' ' LYS . 97.5 t -48.28 -51.19 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.6 -48.84 79.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 85.6 m-20 -51.92 -58.22 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -57.28 -63.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -42.75 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.755 HD22 HD21 ' A' ' 60' ' ' LEU . 52.2 tp -57.48 -68.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.36 -46.24 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.12 -47.6 85.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -62.38 -40.65 97.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 55' ' ' ILE . 55.2 t -67.39 -44.57 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.68 74.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -85.67 -12.07 52.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -98.93 -32.67 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.473 ' HG3' HD13 ' A' ' 54' ' ' LEU . 50.7 mm-40 -99.15 -54.33 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -86.34 -20.13 28.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.57 33.8 72.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 95.8 mt -100.62 125.67 38.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 129.35 17.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 140.24 42.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 86' ' ' THR . 34.5 m -79.88 -41.16 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.426 ' N ' HG23 ' A' ' 85' ' ' VAL . 11.9 t -127.14 156.88 41.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -90.99 144.5 25.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.48 -45.29 6.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.619 ' HE2' HG11 ' A' ' 66' ' ' VAL . 38.2 mmtt -52.83 -50.21 64.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.48 -47.08 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.473 ' HE3' ' HA ' ' A' ' 38' ' ' ARG . 8.6 tpt -43.58 -44.74 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.06 -38.78 24.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -61.7 -64.57 0.9 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.97 108.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.51 -59.03 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 4.9 tt0 -109.34 96.34 21.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.4 Cg_endo -69.71 179.65 3.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.384 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -84.71 101.37 12.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 103' ' ' VAL . 79.1 tttt -38.54 -50.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.17 -60.06 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.7 m -45.27 -39.84 6.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.0 mmm -69.02 -51.68 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 99' ' ' LYS . 99.6 t -56.13 -51.71 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 5.3 ptm -54.47 -38.25 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.412 ' N ' ' HG3' ' A' ' 104' ' ' MET . 82.6 t80 -71.07 -63.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD1' HD21 ' A' ' 14' ' ' LEU . 11.0 mt -42.45 -48.37 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -41.69 -38.1 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -48.84 -42.58 36.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -83.1 -47.99 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.477 ' CZ ' ' HD2' ' A' ' 114' ' ' ARG . 83.7 t80 -43.89 -61.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.958 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.45 -47.43 85.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.5 tp -48.73 -58.77 4.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -64.65 -50.48 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.477 ' HD2' ' CZ ' ' A' ' 110' ' ' TYR . 26.7 ttt-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -52.7 -23.88 7.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -70.09 -55.9 8.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.0 tp -54.75 -42.18 71.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -56.98 -61.87 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.413 ' CZ3' ' HA ' ' A' ' 110' ' ' TYR . 77.3 t90 -47.3 -45.39 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.3 m -65.4 -41.82 93.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -60.13 -44.14 95.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -58.35 -52.22 66.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -55.41 -47.86 75.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 p -68.66 -30.03 68.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -44.13 138.0 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.91 -41.46 2.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -52.77 170.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -111.59 149.26 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 52.86 32.17 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 t -128.4 101.36 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -113.31 105.31 13.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -102.59 110.53 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.2 p -124.31 -30.32 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -124.43 -178.14 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.86 29.25 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 p -124.02 -61.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.47 -29.16 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.652 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 10.3 m -53.89 -16.72 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.423 ' CZ3' HD22 ' A' ' 106' ' ' LEU . 3.6 m95 -126.05 29.16 5.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -81.67 -33.75 31.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.4 t -93.37 -23.48 18.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 102.93 -33.47 6.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.467 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 89.9 mt -36.83 -52.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -39.02 -68.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.31 -48.9 77.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -48.27 -26.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.98 -41.82 50.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.01 -48.97 81.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.472 ' HB ' HD12 ' A' ' 55' ' ' ILE . 42.1 mt -63.24 -52.62 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.487 ' C ' ' ND1' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -57.97 -31.1 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' CD ' ' C ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -48.94 -62.07 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -68.95 -52.27 30.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -123.9 89.57 51.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.726 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.455 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.82 -0.48 7.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.57 -28.98 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.7 mt -72.39 -38.76 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.555 HG23 ' CD2' ' A' ' 71' ' ' LEU . 44.7 mt -128.43 131.13 69.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -101.2 82.91 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.702 ' HA ' HD12 ' A' ' 60' ' ' LEU . 6.1 t80 -59.07 -32.9 70.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -58.49 -19.65 38.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -102.76 -32.91 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 57' ' ' PHE . 86.3 mt -51.44 118.97 3.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.616 HD22 ' HB3' ' A' ' 63' ' ' ASP . 6.6 t30 -105.69 122.8 46.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' ASN . 18.9 tt0 -35.94 -52.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.616 ' HB3' HD22 ' A' ' 61' ' ' ASN . 2.9 t70 -54.94 -40.09 69.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 61' ' ' ASN . 42.3 m-20 -77.16 47.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.12 -57.96 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.7 t -39.42 -55.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.65 -45.24 87.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.441 ' HA ' HD22 ' A' ' 60' ' ' LEU . 89.7 m-20 -49.91 -50.13 47.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -66.04 -56.91 9.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -47.28 -37.96 11.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.693 ' O ' HG23 ' A' ' 75' ' ' VAL . 60.9 tp -58.61 -62.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -39.9 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 7.9 m-30 -61.56 -61.57 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -53.36 -38.55 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 71' ' ' LEU . 79.8 t -63.31 -53.49 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.23 -19.63 65.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -93.43 -14.18 27.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -95.96 -31.4 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.32 -55.11 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -84.54 -22.23 30.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.71 14.88 79.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.3 mt -87.4 114.99 61.29 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.59 0.71 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.08 44.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 153.46 69.02 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.731 HG13 ' CD1' ' A' ' 105' ' ' TYR . 13.6 m -83.39 -38.29 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.602 HG21 ' SD ' ' A' ' 91' ' ' MET . 10.1 t -126.16 165.44 18.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' GLY . 57.1 p -90.51 133.32 35.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.69 -53.82 0.81 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -49.92 -56.73 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.56 -47.41 84.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.602 ' SD ' HG21 ' A' ' 86' ' ' THR . 9.2 tpt -42.28 -42.18 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.5 -34.16 47.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.3 m -60.06 -66.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.17 113.7 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.33 -41.3 94.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -127.46 96.62 32.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.62 30.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.57 111.7 4.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.621 ' O ' HG23 ' A' ' 103' ' ' VAL . 26.1 ttpt -46.62 -23.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -65.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -52.71 -16.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 41.3 mmm -84.44 -53.17 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 99' ' ' LYS . 87.7 t -63.54 -43.77 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 16.2 ptm -58.79 -31.43 68.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.731 ' CD1' HG13 ' A' ' 85' ' ' VAL . 39.0 t80 -81.11 -67.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.423 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 35.1 mt -43.16 -43.17 4.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.3 m -44.18 -39.17 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -58.04 -48.22 80.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -64.81 -42.38 95.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 21.5 t80 -58.31 -61.54 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -57.88 -48.83 78.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.0 tp -53.68 -61.58 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -57.02 -52.41 65.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.938 0.399 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -53.02 -56.63 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.0 tp -46.32 -64.48 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.6 tp -39.81 -54.99 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.2 m -40.31 -53.0 2.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -52.76 -61.2 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.6 m -48.81 -52.77 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -47.92 -45.26 30.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -64.05 -50.65 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -53.47 -44.07 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.441 HG22 ' HB3' ' A' ' 45' ' ' ALA . 43.5 p -92.94 33.98 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -88.65 127.32 35.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 102.59 -44.16 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' GLY . 11.5 m-85 -36.41 152.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.429 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.3 mm100 -93.32 144.13 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 56.08 28.99 13.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 26' ' ' GLN . 71.1 t -126.63 99.47 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -114.86 98.8 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.4 t -91.24 108.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -119.32 -37.06 3.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.191 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -122.64 -176.92 3.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 mt -120.62 31.43 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.1 p -131.78 -53.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.0 p -87.59 -36.83 17.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 m -52.37 -35.37 51.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CH2' HD22 ' A' ' 106' ' ' LEU . 3.5 m95 -104.41 30.06 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -84.61 -37.04 21.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.469 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 10.0 t -85.2 -53.11 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.428 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 135.26 -38.32 1.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD23 ' OD1' ' A' ' 68' ' ' ASN . 53.9 mt -42.84 -36.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.86 -58.34 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 53.9 tp -67.18 -54.13 23.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 92.9 m -42.76 -39.24 2.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -57.03 -57.94 10.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.061 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.0 mt -45.25 -50.68 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mt -63.97 -64.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -46.06 -30.97 2.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -59.8 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -75.49 -48.55 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -123.66 89.44 51.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -24.22 30.09 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.94 -39.47 78.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.37 -49.56 54.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.746 ' CG2' HD11 ' A' ' 60' ' ' LEU . 29.9 mt -131.07 133.31 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -112.61 95.68 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.409 ' HA ' HD12 ' A' ' 60' ' ' LEU . 9.4 t80 -39.19 -36.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.87 -42.6 99.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 56' ' ' ASN . 4.5 m -73.99 -29.77 62.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.746 HD11 ' CG2' ' A' ' 55' ' ' ILE . 88.0 mt -64.28 108.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.639 HD22 ' HB3' ' A' ' 63' ' ' ASP . 19.4 t30 -75.25 112.34 11.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.6 -30.61 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.639 ' HB3' HD22 ' A' ' 61' ' ' ASN . 28.8 t70 -73.02 -33.62 65.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.487 ' CG ' HD21 ' A' ' 61' ' ' ASN . 85.5 m-20 -83.67 54.9 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -52.64 -47.33 67.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.5 t -49.93 -55.5 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.53 -48.64 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.554 ' OD1' HD23 ' A' ' 41' ' ' LEU . 9.1 m-80 -41.99 -59.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 39' ' ' SER . 85.4 m-20 -54.71 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -42.62 -44.19 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.9 tp -56.98 -66.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -43.45 -49.49 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 20.9 m-85 -58.04 -51.39 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.73 -47.79 79.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.1 -45.75 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -66.76 -38.18 86.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -74.21 -11.89 60.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -101.58 -61.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.01 -54.37 10.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -82.97 -15.85 49.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 61.6 33.39 84.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.8 mt -101.88 119.85 55.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 111.082 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 129.2 17.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 150.25 68.18 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.7 m -90.56 -30.41 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -137.54 162.71 33.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.1 p -93.03 138.05 31.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.63 -44.41 4.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -54.05 -50.45 66.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -69.39 -44.76 70.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.9 tpt -49.21 -44.98 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.35 -38.02 42.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.3 m -61.74 -62.66 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.45 117.48 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -61.33 -59.95 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 9.5 tt0 -117.62 96.36 49.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.4 Cg_endo -69.82 179.47 3.7 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -78.73 139.33 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 103' ' ' VAL . 11.8 pttp -75.97 -37.5 58.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.01 -65.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -47.14 -39.11 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -63.94 -48.15 77.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 99' ' ' LYS . 70.2 t -63.9 -63.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.6 ptm -40.6 -39.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -71.69 -60.04 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.546 HD22 ' CH2' ' A' ' 37' ' ' TRP . 19.2 mt -47.04 -45.41 21.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.1 t -42.63 -44.08 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -47.02 -45.72 21.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -74.42 -39.86 62.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -49.53 -57.38 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.49 -48.37 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 tp -47.44 -53.17 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -70.51 -43.45 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.0 ttp85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.942 0.401 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -60.89 -32.82 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.5 -51.15 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.476 HD11 HG12 ' A' ' 30' ' ' VAL . 54.3 tp -58.35 -40.31 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 m -56.1 -59.79 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -48.94 -49.09 41.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.9 m -60.03 -51.2 70.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -51.54 -36.56 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.29 -49.21 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -62.59 -42.95 99.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 p -73.88 -27.51 61.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -48.28 135.83 13.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.31 -41.68 2.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -55.6 167.91 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.932 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.478 ' O ' HG23 ' A' ' 28' ' ' VAL . 9.2 pm0 -106.35 146.56 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.2 m80 54.28 32.53 16.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 26' ' ' GLN . 67.7 t -125.43 102.64 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.557 ' OD1' HG23 ' A' ' 31' ' ' THR . 1.0 OUTLIER -115.1 104.62 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.476 HG12 HD11 ' A' ' 15' ' ' LEU . 89.4 t -93.44 103.52 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.557 HG23 ' OD1' ' A' ' 29' ' ' ASN . 66.5 p -117.06 -29.52 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -131.66 -175.54 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 15.2 mt -123.92 25.95 7.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 p -130.49 -38.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.0 p -99.27 -48.92 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 12.2 m -52.73 -22.64 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.477 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.3 m95 -115.44 29.55 7.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -86.59 -35.34 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 24.0 t -86.14 -37.71 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 122.21 -38.03 2.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.545 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLY . 56.4 mt -34.74 -49.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -40.55 -66.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 44' ' ' CYS . 30.7 tp -57.97 -57.0 14.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.424 ' SG ' HD13 ' A' ' 60' ' ' LEU . 95.9 m -36.56 -42.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.84 72.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.12 -51.0 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.517 ' HB ' HD12 ' A' ' 55' ' ' ILE . 51.6 mt -64.4 -61.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 3.4 t-80 -43.59 -43.01 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.8 tpt85 -42.81 -61.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -68.63 -51.55 40.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HB2' HD12 ' A' ' 54' ' ' LEU . 40.2 mmt180 -126.68 89.46 52.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.585 0.707 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.74 -15.15 37.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.8 -31.29 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 51' ' ' ARG . 33.8 mt -70.8 -46.01 63.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.554 ' CG2' HD11 ' A' ' 60' ' ' LEU . 96.2 mt -122.18 143.38 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -117.96 93.75 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -54.84 -39.47 68.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -51.34 -35.86 40.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 p -82.14 -47.87 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.554 HD11 ' CG2' ' A' ' 55' ' ' ILE . 47.5 mt -52.54 105.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.4 t30 -103.68 131.48 50.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 61' ' ' ASN . 11.3 pt-20 -35.28 -48.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.452 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 9.8 t0 -49.15 -45.54 43.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.0 m-20 -84.56 61.61 6.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.93 -58.67 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -42.85 -53.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.96 -44.69 95.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -48.57 -55.64 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' OD1' ' CA ' ' A' ' 40' ' ' GLY . 72.8 m-80 -59.42 -60.86 3.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -41.83 -43.21 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.548 HD23 HD21 ' A' ' 60' ' ' LEU . 59.9 tp -56.65 -66.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.16 -45.43 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -59.77 -51.65 68.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.39 -38.85 81.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.4 -46.14 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.423 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -68.02 -30.97 70.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -83.64 -13.82 53.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.444 ' CZ ' ' O ' ' A' ' 78' ' ' ARG . 3.5 tpm_? -99.94 -29.22 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -101.87 -51.83 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 17.2 m-85 -87.69 -20.87 25.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.87 27.98 69.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 84.3 mt -97.63 121.04 59.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.25 20.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.56 40.57 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.5 m -82.82 -28.24 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.459 HG21 ' SD ' ' A' ' 91' ' ' MET . 9.6 t -138.25 155.42 48.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.5 p -89.96 140.86 29.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.83 -37.84 2.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -56.64 -62.06 2.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.01 -38.32 90.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.459 ' SD ' HG21 ' A' ' 86' ' ' THR . 8.9 tpt -56.6 -45.14 81.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.86 -34.82 29.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.6 m -63.77 -61.25 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.51 113.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.471 ' NE2' ' CB ' ' A' ' 96' ' ' GLU . 3.8 pp0? -59.61 -42.88 93.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.471 ' CB ' ' NE2' ' A' ' 95' ' ' GLN . 6.7 tt0 -133.6 96.49 16.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.19 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.44 111.2 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -43.79 -53.29 6.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.19 -66.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.9 m -41.32 -39.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.1 mmt -68.37 -52.44 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.17 -57.51 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.8 ptm -49.19 -33.84 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -76.52 -66.04 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.07 -41.18 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -42.7 -45.24 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -47.94 -52.07 21.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -64.39 -50.87 65.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 114' ' ' ARG . 67.9 t80 -42.42 -46.51 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.954 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -74.34 -53.46 9.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 tp -44.77 -53.01 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -72.14 -47.22 52.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 110' ' ' TYR . 53.9 ttt-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.958 0.409 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -58.26 -50.67 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -52.61 -53.8 41.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 tp -49.78 -53.47 24.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.5 m -45.65 -52.89 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -51.72 -57.84 8.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.2 m -53.25 -45.26 68.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -54.97 -46.14 75.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -61.7 -49.58 75.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -53.99 -46.12 71.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -90.85 34.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -85.24 124.27 31.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.94 -41.43 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -38.34 153.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.773 ' O ' HG23 ' A' ' 28' ' ' VAL . 24.7 mm-40 -95.42 157.55 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 42.67 27.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 26' ' ' GLN . 78.9 t -125.95 93.1 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.18 94.53 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -82.36 105.36 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 p -112.51 -38.25 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -123.78 179.03 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mt -114.03 25.58 11.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 p -126.27 -53.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.2 p -83.34 -42.4 17.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.731 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 10.9 m -49.79 -32.26 13.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.48 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 m95 -110.68 36.07 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -91.49 -32.88 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -96.3 -37.43 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.13 -36.24 2.65 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.6 mt -38.36 -43.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -50.56 -63.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 72' ' ' ALA . 61.0 tp -65.31 -53.92 36.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.1 m -43.02 -35.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.87 -60.9 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.1 mt -43.07 -58.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mt -57.6 -67.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -42.73 -27.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.67 -61.03 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -69.8 -51.05 37.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -126.54 89.46 52.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -10.27 28.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.753 2.302 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -75.62 -19.76 58.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.4 mt -87.09 -37.07 17.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.608 ' CG2' HD11 ' A' ' 60' ' ' LEU . 30.8 mt -135.18 137.0 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.45 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 18.3 t-20 -108.93 79.57 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.616 ' HA ' HD12 ' A' ' 60' ' ' LEU . 16.5 t80 -45.98 -57.69 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.45 ' CG ' ' OD1' ' A' ' 56' ' ' ASN . 3.4 p-10 -37.09 -34.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.427 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 28.2 t -82.58 -48.37 11.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.724 HD22 ' OD1' ' A' ' 68' ' ' ASN . 28.9 mt -50.7 112.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.8 t30 -109.97 145.71 36.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 18.1 tt0 -35.0 -57.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.488 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 3.5 t70 -44.38 -42.57 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 52.6 m-20 -79.84 44.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.52 -59.8 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.9 t -47.4 -46.61 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.73 -45.71 77.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.724 ' OD1' HD22 ' A' ' 60' ' ' LEU . 92.4 m-20 -51.69 -43.27 62.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -68.48 -60.76 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -48.45 -39.72 23.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 tp -56.95 -67.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.464 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -44.3 -47.01 9.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -57.27 -50.39 73.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.76 -44.36 90.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.64 -39.08 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.58 -24.26 61.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -94.19 -14.03 26.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -100.51 -28.95 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -101.77 -54.82 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -85.92 -18.2 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.24 30.23 69.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.426 HG21 ' HD2' ' A' ' 108' ' ' LYS . 91.0 mt -99.42 121.98 53.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.63 21.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 144.91 55.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 86' ' ' THR . 26.8 m -82.85 -45.36 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.494 ' N ' HG23 ' A' ' 85' ' ' VAL . 8.8 t -127.29 167.56 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.2 p -93.79 139.19 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -38.03 -49.76 2.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -49.32 -63.46 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -55.22 -45.23 75.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.3 tpt -48.47 -51.04 29.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.62 -38.75 64.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -59.48 -64.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.51 117.96 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 28.4 pt20 -64.25 -44.7 90.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 19.8 tt0 -131.73 96.32 21.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.0 Cg_endo -69.72 174.58 9.27 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.361 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' LYS . 7.6 t0 -76.21 104.08 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.729 ' O ' HG23 ' A' ' 103' ' ' VAL . 18.8 ttmm -37.86 -40.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' VAL . 4.4 mm? -62.54 -66.83 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -38.07 -38.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.457 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.1 OUTLIER -72.59 -45.76 57.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 99' ' ' LYS . 84.7 t -63.04 -55.75 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 19.0 ptm -47.17 -36.05 8.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -77.27 -58.49 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.421 HD21 ' CE3' ' A' ' 37' ' ' TRP . 47.4 mt -47.06 -46.16 22.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 m -43.42 -48.58 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.426 ' HD2' HG21 ' A' ' 82' ' ' ILE . 41.9 mttt -43.48 -52.05 6.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -63.86 -48.27 77.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.403 ' CE1' ' HD3' ' A' ' 114' ' ' ARG . 11.8 t80 -42.95 -62.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -60.2 -54.65 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -43.81 -63.99 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -59.46 -51.66 68.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.403 ' HD3' ' CE1' ' A' ' 110' ' ' TYR . 22.0 ttt-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -59.32 -51.71 68.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -42.77 -45.98 5.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.05 -49.65 73.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.4 m -47.49 -54.67 10.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -51.29 -56.26 13.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.2 m -52.32 -49.41 64.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -52.43 -50.94 61.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -51.25 -54.28 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -56.93 -40.01 75.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -91.47 30.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -88.03 124.06 33.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 107.04 -45.27 1.33 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' GLY . 19.3 m-85 -34.84 148.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.57 ' O ' HG23 ' A' ' 28' ' ' VAL . 66.1 mt-30 -85.95 146.61 26.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 47.11 29.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 26' ' ' GLN . 44.1 t -124.34 93.84 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -114.25 96.62 5.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.8 t -83.13 105.47 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.8 p -116.31 -33.04 5.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.24 -178.79 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mt -119.37 30.26 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 p -127.48 -52.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.6 p -92.3 -40.3 11.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 52.7 m -50.25 -31.12 13.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.493 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.5 m95 -112.43 35.84 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -86.92 -34.55 19.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 89.5 p -92.09 -47.85 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 133.42 -37.84 1.94 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.538 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.711 HD23 ' OD1' ' A' ' 68' ' ' ASN . 52.5 mt -37.28 -47.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -44.23 -65.47 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.589 HD23 ' HB1' ' A' ' 72' ' ' ALA . 54.9 tp -60.13 -57.51 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.3 m -37.71 -41.13 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.429 ' HB1' ' CZ ' ' A' ' 25' ' ' TYR . . . -59.03 -49.18 78.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.25 -52.33 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.792 ' HB ' HD12 ' A' ' 55' ' ' ILE . 64.0 mt -60.32 -50.65 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -54.71 -44.81 73.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 -42.25 -59.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -73.58 -44.3 57.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HB2' HD12 ' A' ' 54' ' ' LEU . 39.7 mmt180 -131.33 89.41 41.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -11.7 31.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.32 -40.99 42.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 51' ' ' ARG . 47.5 mt -59.84 -45.23 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.792 HD12 ' HB ' ' A' ' 47' ' ' ILE . 73.7 mt -121.27 134.55 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.41 87.25 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -53.03 -48.77 67.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -39.55 -37.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -81.51 -45.38 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.545 HD21 ' CD2' ' A' ' 71' ' ' LEU . 72.4 mt -53.02 119.53 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.667 ' ND2' ' H ' ' A' ' 62' ' ' GLU . 2.9 t-20 -99.3 164.96 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.667 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 29.0 tt0 -69.0 -38.16 79.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.1 13.47 6.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -111.73 30.69 6.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.57 -60.85 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.6 t -41.98 -53.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -60.87 -50.37 73.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.711 ' OD1' HD23 ' A' ' 41' ' ' LEU . 16.6 m-80 -46.0 -60.79 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 39' ' ' SER . 84.0 m-20 -55.42 -66.64 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -39.02 -45.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.545 ' CD2' HD21 ' A' ' 60' ' ' LEU . 50.5 tp -58.0 -62.28 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.589 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -46.63 -52.41 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -54.05 -48.73 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -56.78 -45.7 81.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.56 -42.4 96.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.23 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -93.76 -12.93 28.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -93.41 -33.14 13.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -103.87 -55.03 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -84.93 -21.57 29.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.46 34.27 84.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 92.9 mt -100.17 122.6 49.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 124.68 11.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.21 42.06 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.39 -31.35 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.559 HG21 ' SD ' ' A' ' 91' ' ' MET . 15.2 t -138.29 160.65 38.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.3 p -95.4 155.99 16.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.86 -46.31 55.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -55.03 -50.48 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -69.77 -30.72 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.559 ' SD ' HG21 ' A' ' 86' ' ' THR . 7.1 tpt -68.26 -38.51 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.48 -34.79 47.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.9 p -71.68 -51.68 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.39 109.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.33 -54.21 46.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 31.0 tt0 -130.31 96.84 23.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.0 Cg_endo -69.76 177.95 5.06 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.91 126.87 34.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 103' ' ' VAL . 4.5 mtpm? -55.82 -44.22 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -63.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.0 p -44.97 -29.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -79.19 -44.3 22.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 99' ' ' LYS . 83.1 t -66.6 -50.0 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 26.2 ptm -54.03 -36.95 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -76.55 -66.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.7 mt -42.49 -42.27 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t -43.22 -43.74 4.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -49.11 -51.18 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -66.35 -49.18 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.407 ' CZ ' ' HD2' ' A' ' 114' ' ' ARG . 8.5 t80 -50.23 -59.81 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.03 -59.09 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.6 tp -44.43 -62.2 1.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -55.54 -49.67 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 110' ' ' TYR . 14.9 ttt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.914 0.388 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -65.21 -54.26 32.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.6 tp -42.75 -49.35 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.413 ' CD1' HD21 ' A' ' 33' ' ' LEU . 38.3 tp -52.52 -53.0 51.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.8 m -44.13 -51.69 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -54.67 -60.31 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.5 m -48.87 -55.45 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -45.13 -49.53 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' CB ' ' A' ' 23' ' ' GLU . 12.9 mt-30 -60.32 -53.33 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -46.27 -46.45 17.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.9 p -89.64 28.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 17.0 tt0 -78.58 131.23 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 95.62 -42.11 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 11.9 m-85 -37.03 143.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.931 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.87 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.8 mt-30 -88.38 158.22 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 43.51 25.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 26' ' ' GLN . 91.0 t -127.59 95.43 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -111.16 104.3 12.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.1 t -94.38 117.12 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.5 p -126.69 -31.12 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -128.65 -175.61 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 15' ' ' LEU . 8.2 mt -121.45 33.85 5.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 p -132.22 -56.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 p -84.61 -38.97 19.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.584 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 14.8 m -49.49 -34.53 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.476 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 m95 -109.46 36.46 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 ptt85 -89.52 -30.7 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.661 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 4.9 t -91.9 -49.94 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.82 -37.6 1.92 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.752 HD23 ' OD1' ' A' ' 68' ' ' ASN . 41.1 mt -44.39 -38.52 4.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -46.9 -64.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.0 tp -63.84 -47.11 82.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.5 m -49.57 -36.76 24.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.447 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -61.46 -54.9 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.7 mt -50.11 -43.48 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.59 ' HB ' HD12 ' A' ' 55' ' ' ILE . 34.6 mt -68.41 -63.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 2.6 t-80 -45.15 -48.45 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -60.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -71.58 -51.97 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -124.81 89.43 52.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.41 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.81 -17.97 37.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -64.64 -39.22 93.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.646 HD13 ' OE2' ' A' ' 79' ' ' GLU . 29.0 mt -73.66 -43.71 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.893 ' CG2' HD11 ' A' ' 60' ' ' LEU . 67.4 mt -132.39 135.96 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -120.68 93.67 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 41' ' ' LEU . 11.3 t80 -43.76 -60.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -39.56 -36.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.9 m -82.93 -39.45 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.893 HD11 ' CG2' ' A' ' 55' ' ' ILE . 83.5 mt -56.59 104.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 2.3 t-20 -61.58 108.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.565 ' HA ' HD11 ' A' ' 41' ' ' LEU . 4.8 pt-20 -48.47 -29.94 4.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 10.3 t0 -74.38 -31.71 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -80.01 51.62 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.661 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -49.06 -59.82 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t -39.94 -55.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -59.84 -50.68 72.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.752 ' OD1' HD23 ' A' ' 41' ' ' LEU . 9.9 m-80 -42.24 -54.9 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -57.76 -67.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -40.89 -42.27 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.457 ' CD2' HD21 ' A' ' 60' ' ' LEU . 54.9 tp -57.05 -65.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.53 -42.69 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.06 -51.98 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.79 -47.19 83.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.77 -44.34 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -71.3 -32.09 68.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -82.88 -12.44 57.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -101.8 -39.27 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.646 ' OE2' HD13 ' A' ' 54' ' ' LEU . 36.8 mt-10 -89.59 -55.2 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.462 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 15.2 m-85 -82.62 -25.04 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.31 23.3 68.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.475 HG21 ' HD3' ' A' ' 108' ' ' LYS . 56.0 mt -93.17 121.4 65.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.11 17.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.278 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 134.9 29.11 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.9 m -70.84 -37.71 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.8 t -129.76 161.15 31.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLY . 73.7 p -89.18 136.36 33.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.17 -49.3 0.84 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -54.64 -56.21 21.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.48 -42.8 92.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.4 tpt -46.84 -44.81 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.75 -36.96 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -59.87 -61.24 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.41 109.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -55.6 -42.68 75.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -133.88 96.2 16.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 171.83 13.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -76.32 129.17 36.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 100' ' ' LEU . 15.4 ptpt -68.92 -40.63 78.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 3.7 mm? -61.04 -59.7 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.6 m -50.74 -38.39 47.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.448 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -65.08 -47.52 76.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.8 t -62.84 -59.45 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 19.4 ptm -47.09 -42.1 18.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.419 ' N ' ' HG3' ' A' ' 104' ' ' MET . 61.3 t80 -65.03 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.0 mt -47.17 -45.33 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 m -40.49 -41.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' A' ' 82' ' ' ILE . 15.2 mtpt -50.51 -52.49 38.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -65.9 -50.22 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.455 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 30.4 t80 -41.7 -50.26 4.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.38 -45.6 72.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.1 tp -51.2 -53.01 39.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -73.39 -51.64 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 14.3 ttt-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.946 0.403 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -46.71 79.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.8 tp -53.91 -48.56 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.5 tp -42.24 -47.42 4.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.9 m -44.5 -56.13 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -48.24 -55.81 9.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.1 m -53.5 -52.73 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -48.28 -47.43 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -57.06 -53.24 60.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -55.55 -38.84 69.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.5 p -92.73 33.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.87 125.36 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 104.18 -42.58 1.86 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 26.8 m-85 -37.26 150.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -95.92 142.71 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 57.6 29.25 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.813 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.43 92.91 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -108.06 96.38 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.3 t -85.57 108.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.8 p -120.83 -27.99 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -131.91 179.78 5.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.457 HD13 HG22 ' A' ' 103' ' ' VAL . 69.9 mt -116.81 25.48 10.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.5 p -130.88 -44.48 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -92.85 -36.52 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.64 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 75.5 m -63.47 -22.39 66.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.459 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.5 m95 -117.86 32.53 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -84.57 -42.84 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 t -84.05 -40.72 18.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 125.65 -33.35 3.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 40' ' ' GLY . 72.0 mt -37.46 -46.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -46.68 -61.27 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.523 HD23 ' HB1' ' A' ' 72' ' ' ALA . 58.9 tp -63.18 -58.52 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.497 ' HB3' HG21 ' A' ' 55' ' ' ILE . 85.7 m -38.2 -31.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -65.95 -51.53 57.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.3 mt -53.94 -42.22 52.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.526 ' HB ' HD12 ' A' ' 55' ' ' ILE . 50.6 mt -71.97 -63.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -42.29 -45.0 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -41.13 -62.08 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -69.67 -47.24 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 -129.38 89.47 47.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.578 0.704 . . . . 0.0 110.816 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -13.78 35.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.73 -39.5 73.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.2 mt -65.44 -46.6 79.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.98 ' CG2' HD11 ' A' ' 60' ' ' LEU . 66.4 mt -124.85 129.52 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -108.74 84.2 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.755 ' HA ' HD12 ' A' ' 60' ' ' LEU . 9.2 t80 -41.14 -47.35 3.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -38.28 -44.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -79.4 -46.02 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.98 HD11 ' CG2' ' A' ' 55' ' ' ILE . 25.5 mt -50.83 105.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' ND2' ' HB3' ' A' ' 63' ' ' ASP . 1.8 t30 -110.05 146.41 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 4.1 tp10 -39.97 -57.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 38.5 t0 -49.38 -33.54 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 73.9 m-20 -84.17 46.04 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.36 -64.49 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.0 t -39.54 -51.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.88 -45.27 86.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.433 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 98.0 m-20 -52.2 -56.7 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -56.69 -61.28 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -43.23 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.517 ' CD2' HD21 ' A' ' 60' ' ' LEU . 54.1 tp -54.99 -66.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -45.87 -48.21 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -58.01 -45.89 86.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.16 -58.19 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.4 t -53.47 -34.17 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -75.49 -36.25 60.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -80.2 -12.82 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -101.03 -48.31 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.55 ' N ' ' CD ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.09 -55.51 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 4.4 m-85 -82.72 -20.84 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.77 35.37 79.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 75.5 mt -108.04 124.21 35.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 126.04 12.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 132.9 24.29 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.88 -28.55 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.523 HG21 ' SD ' ' A' ' 91' ' ' MET . 8.9 t -137.11 160.45 38.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLY . 76.4 p -94.07 139.95 30.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.17 -50.94 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -53.46 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -50.02 -45.79 52.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.523 ' SD ' HG21 ' A' ' 86' ' ' THR . 8.3 tpt -48.87 -44.34 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.74 -37.41 35.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 m -46.88 -65.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.68 108.6 8.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -43.95 -56.99 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 0.7 OUTLIER -107.89 108.92 61.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.905 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.4 Cg_endo -69.69 -168.5 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 99' ' ' LYS . 14.7 m-20 -90.44 100.26 13.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 98' ' ' ASP . 28.3 ttpt -34.74 -41.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -68.04 -56.27 9.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -49.21 -38.14 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.8 mmm -69.08 -50.84 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.457 HG22 HD13 ' A' ' 33' ' ' LEU . 55.0 t -59.31 -53.91 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 4.0 ptt? -52.4 -40.17 61.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.432 ' N ' ' HG3' ' A' ' 104' ' ' MET . 30.8 t80 -68.83 -48.71 62.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.885 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.411 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 53.7 mt -54.07 -43.4 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 p -40.95 -50.56 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -49.18 -49.98 40.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -68.18 -52.2 37.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.525 ' CE2' ' HD3' ' A' ' 114' ' ' ARG . 35.9 t80 -47.13 -54.22 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.14 -44.86 87.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 tp -44.34 -59.08 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.3 -49.59 68.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.525 ' HD3' ' CE2' ' A' ' 110' ' ' TYR . 12.5 ttp85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.956 0.408 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -43.1 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -45.15 -49.13 12.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD11 HG12 ' A' ' 30' ' ' VAL . 23.2 tp -51.56 -53.59 36.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.3 m -42.49 -55.86 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -53.2 -56.27 17.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.0 m -51.51 -45.58 62.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -54.93 -53.13 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -53.61 -55.93 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -51.76 -51.57 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.437 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 28.7 p -104.15 45.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -92.32 -18.68 23.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.19 26.16 12.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.437 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 17.6 m-85 -97.93 139.96 32.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.407 ' O ' HG23 ' A' ' 28' ' ' VAL . 59.7 mt-30 -76.87 137.94 39.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 60.43 30.02 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 26' ' ' GLN . 92.6 t -128.77 95.97 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -114.15 89.02 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.582 HG12 HD11 ' A' ' 15' ' ' LEU . 78.7 t -72.97 101.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.9 m -109.76 -38.47 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.42 173.58 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 11.6 mt -107.81 32.56 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.6 p -132.28 -57.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.9 p -83.74 -38.45 21.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 18.8 m -59.82 -27.23 66.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.55 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 5.2 m95 -110.87 27.38 9.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -84.14 -37.81 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.491 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 32.2 t -88.8 -45.7 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.91 -32.57 3.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.03 -40.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -52.59 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.08 -54.63 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.406 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 66.9 m -41.33 -40.99 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -58.09 -51.69 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.4 mt -53.24 -53.74 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -55.79 -58.27 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.482 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 5.3 t-80 -47.01 -45.35 21.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -42.6 -64.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -63.81 -50.06 70.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.9 mmt-85 -132.14 90.31 35.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.482 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.75 -8.04 22.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.45 -34.86 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.84 -48.23 55.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.661 ' CG2' HD11 ' A' ' 60' ' ' LEU . 55.2 mt -123.97 139.8 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -118.75 94.89 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.436 ' HA ' HD12 ' A' ' 60' ' ' LEU . 28.9 t80 -48.21 -43.97 32.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.25 -37.15 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.7 t -82.26 -40.48 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.661 HD11 ' CG2' ' A' ' 55' ' ' ILE . 68.1 mt -52.47 118.92 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.2 t30 -102.1 118.41 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -40.48 -49.01 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 13.2 m-20 -59.78 -34.36 72.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' ASN . 29.2 m-20 -82.3 49.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -56.4 -62.0 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ALA . 85.1 t -35.49 -47.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -73.69 -45.83 50.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -49.46 -58.41 5.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' GLN . 81.2 m-20 -56.98 -69.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' ASN . 5.2 mm-40 -36.43 -41.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 75' ' ' VAL . 59.0 tp -60.21 -58.61 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.21 -43.99 67.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.98 -51.43 69.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -59.83 -43.75 94.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 71' ' ' LEU . 81.9 t -61.42 -35.51 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -80.1 -36.06 35.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -78.25 -16.41 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -98.14 -37.21 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -93.22 -55.31 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 14.1 m-85 -82.74 -23.11 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.04 33.91 65.11 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.4 mt -105.6 118.82 54.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 122.98 9.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.484 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 53.6 Cg_endo -69.79 136.8 33.83 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.628 2.219 . . . . 0.0 112.337 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.3 m -69.17 -28.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.463 HG21 ' SD ' ' A' ' 91' ' ' MET . 7.3 t -135.82 160.09 39.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.2 p -96.53 133.71 40.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.21 -47.76 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -48.37 -53.81 16.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -71.7 -46.37 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.463 ' SD ' HG21 ' A' ' 86' ' ' THR . 10.9 tpt -41.29 -43.31 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.27 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -56.5 -59.17 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.28 112.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -51.09 -59.63 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -121.82 96.35 47.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.79 20.54 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.68 132.62 36.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.553 ' HG3' HD22 ' A' ' 100' ' ' LEU . 9.9 ptmm? -68.97 -45.8 69.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.553 HD22 ' HG3' ' A' ' 99' ' ' LYS . 4.3 mm? -51.12 -62.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.2 t -51.11 -34.23 29.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -68.95 -50.31 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 104' ' ' MET . 93.2 t -59.38 -63.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 15.2 ptp -37.47 -38.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.484 ' CE1' ' HA ' ' A' ' 84' ' ' PRO . 71.9 t80 -76.91 -61.04 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.478 HD21 ' CE3' ' A' ' 37' ' ' TRP . 42.6 mt -39.08 -46.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -43.41 -46.74 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -38.47 -50.57 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.0 -51.46 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.418 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 63.9 t80 -40.39 -46.36 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -73.41 -44.38 58.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.4 tp -49.61 -57.46 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -68.59 -47.5 66.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 65.1 ttp85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.967 0.413 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -59.26 -41.85 89.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.17 -58.22 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.73 -48.13 15.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.2 m -45.97 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -46.81 -52.55 13.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.1 m -58.08 -44.18 87.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -58.58 -37.1 75.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -68.15 -47.7 67.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -60.69 -49.34 77.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 19.3 p -65.6 -40.64 92.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' THR . 47.0 tt0 -35.73 129.65 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.54 -44.27 1.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -53.13 171.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.82 ' O ' HG23 ' A' ' 28' ' ' VAL . 35.7 mt-30 -108.33 153.79 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 47.14 26.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 26' ' ' GLN . 87.0 t -124.45 95.62 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 12.2 p-10 -112.06 102.95 11.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -90.19 111.11 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.1 p -120.13 -35.5 3.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -125.69 -179.38 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -118.74 25.98 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -130.23 -38.71 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.6 p -99.59 -37.95 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -56.2 -32.82 64.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.455 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.3 m95 -106.96 32.74 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -86.07 -37.41 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.427 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 25.2 t -89.61 -41.27 12.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 127.88 -36.93 2.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.865 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 70.0 mt -35.29 -52.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.46 -61.06 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.46 -59.7 4.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.3 m -42.48 -35.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.1 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.38 -55.34 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.583 ' HB ' HD12 ' A' ' 55' ' ' ILE . 21.8 mt -64.08 -56.57 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -43.48 -35.69 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.6 tpt85 -63.76 -64.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -62.29 -55.11 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -125.14 89.47 52.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -23.63 30.29 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.22 -32.82 72.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 55.0 mt -76.46 -48.08 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.583 HD12 ' HB ' ' A' ' 47' ' ' ILE . 63.5 mt -123.58 125.4 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 87.35 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.865 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 22.1 t80 -37.79 -42.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -35.96 -44.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -78.87 -43.53 24.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 57' ' ' PHE . 58.4 mt -51.27 101.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.8 t30 -94.52 139.25 31.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.506 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 21.5 mt-10 -38.65 -58.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.28 -24.78 67.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.5 m-20 -78.92 44.79 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -62.57 -56.68 15.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.8 t -47.93 -47.39 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.07 -46.94 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 48.4 m-20 -57.79 -58.87 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -49.84 -59.5 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.43 -44.77 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.61 -67.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.49 -37.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' HD1' ' HH ' ' A' ' 105' ' ' TYR . 23.8 m-85 -71.8 -54.02 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -51.04 -45.41 61.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.17 -34.71 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -65.61 -33.85 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -90.18 -12.18 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -94.31 -35.82 12.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.26 -55.05 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 5.2 m-85 -84.75 -23.35 29.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 69.07 34.72 76.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 87.6 mt -102.66 126.05 34.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 133.68 26.07 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 156.18 64.23 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.688 2.259 . . . . 0.0 112.393 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.5 m -98.51 -32.88 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.428 HG21 ' SD ' ' A' ' 91' ' ' MET . 8.0 t -135.33 162.01 33.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.6 p -92.35 136.58 33.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -38.35 -48.3 2.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -52.91 -58.57 6.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -59.11 -43.05 91.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.428 ' SD ' HG21 ' A' ' 86' ' ' THR . 8.1 tpt -46.75 -44.74 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.65 -37.68 24.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -61.19 -62.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.13 114.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -62.2 -45.16 94.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -128.03 96.4 31.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.7 6.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.315 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.87 107.55 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.623 ' HD2' HD22 ' A' ' 100' ' ' LEU . 12.2 tmtt? -48.45 -54.45 14.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.623 HD22 ' HD2' ' A' ' 99' ' ' LYS . 4.3 mm? -52.79 -58.08 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.7 m -48.69 -33.77 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 36.4 mmm -74.62 -49.35 21.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.03 -39.96 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 22.9 ptm -70.77 -44.28 67.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.538 ' HH ' ' HD1' ' A' ' 73' ' ' PHE . 92.7 t80 -62.04 -44.61 96.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.04 -45.82 91.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.7 t -39.94 -42.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -51.12 -49.06 61.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -71.95 -44.29 63.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.466 ' CE1' ' HD2' ' A' ' 114' ' ' ARG . 24.5 t80 -52.54 -57.51 9.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -60.43 -56.43 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 tp -46.78 -53.76 11.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -62.88 -51.4 67.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.466 ' HD2' ' CE1' ' A' ' 110' ' ' TYR . 12.0 ttt85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -57.3 -47.94 80.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -47.45 -56.98 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.4 tp -48.59 -64.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.5 m -39.22 -58.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -45.8 -56.63 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.1 m -56.4 -49.48 74.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -50.2 -52.61 34.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -56.47 -58.22 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' O ' ' NH2' ' A' ' 49' ' ' ARG . 95.4 mm-40 -53.12 -36.24 60.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.418 ' CG2' HG13 ' A' ' 46' ' ' ILE . 42.2 p -110.15 40.65 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.37 -20.46 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.34 -28.55 30.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.958 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 13.3 m-85 -53.37 164.2 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -99.27 138.94 35.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 59.73 33.78 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 25' ' ' TYR . 96.9 t -121.33 96.95 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -108.97 87.56 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.57 112.18 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -122.09 -32.59 3.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.44 179.98 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.479 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 6.7 mt -117.25 33.42 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -132.79 -60.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -86.01 -36.95 19.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.2 m -56.16 -32.76 64.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.479 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 3.3 m95 -108.56 30.13 6.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -82.52 -37.82 24.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.573 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 97.6 p -80.21 -46.75 15.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.496 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 126.32 -43.95 1.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' GLY . 73.1 mt -35.21 -41.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.02 -68.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.6 -51.82 68.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -41.52 -34.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.958 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -66.03 -59.8 3.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.418 HG13 ' CG2' ' A' ' 22' ' ' THR . 90.2 mt -42.82 -56.67 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.524 ' HB ' HD12 ' A' ' 55' ' ' ILE . 59.8 mt -55.91 -63.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 4.5 t-80 -38.65 -46.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 21' ' ' GLN . 7.9 tpp85 -40.15 -59.94 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.724 ' CD1' ' CE1' ' A' ' 113' ' ' PHE . 82.9 m-85 -71.59 -49.1 43.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.5 mpt_? -126.51 89.4 52.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.503 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.75 -13.47 34.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -76.66 -39.19 52.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 51' ' ' ARG . 25.5 mt -63.93 -40.91 97.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.524 HD12 ' HB ' ' A' ' 47' ' ' ILE . 75.6 mt -131.3 139.0 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.57 80.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.736 ' HA ' HD12 ' A' ' 60' ' ' LEU . 3.7 t80 -41.83 -63.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -39.15 -38.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 t -77.36 -37.38 52.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 57' ' ' PHE . 74.6 mt -53.27 102.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -62.69 120.42 11.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 6.0 pt-20 -46.96 -35.14 6.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 4.7 t70 -77.55 -34.97 53.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.58 49.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -56.83 -53.05 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.481 HG13 ' CA ' ' A' ' 89' ' ' LYS . 92.4 t -45.58 -57.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.53 -50.91 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -52.07 -45.9 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.496 ' OD1' ' CA ' ' A' ' 40' ' ' GLY . 77.4 m-20 -58.36 -62.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -42.08 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 tp -54.27 -63.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.62 -45.39 57.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.07 -42.6 98.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.27 -57.17 11.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.9 t -50.32 -50.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.426 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -53.44 -32.98 52.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.044 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -87.31 -12.44 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -93.07 -32.0 14.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.62 -54.2 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 8.1 m-85 -85.06 -22.91 28.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.51 34.05 67.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.0 mt -101.0 117.44 62.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.08 22.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.56 45.53 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -80.56 -29.96 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.9 t -137.88 160.31 39.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 20.3 p -89.36 133.88 34.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.37 -57.08 1.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.481 ' CA ' HG13 ' A' ' 66' ' ' VAL . 7.0 ttmt -45.65 -54.87 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.704 0.288 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -61.1 -38.32 85.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.0 tpt -51.79 -38.4 55.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.32 -36.64 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m -60.62 -66.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.5 121.31 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 16.1 pt20 -62.65 -47.1 85.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 7.4 tt0 -134.98 103.89 10.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.687 0.755 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.5 Cg_endo -69.79 -179.91 3.25 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 99' ' ' LYS . 1.7 m-20 -81.94 102.28 10.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.47 ' O ' HG23 ' A' ' 103' ' ' VAL . 11.5 tmtt? -34.52 -45.65 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.97 -67.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -39.03 -39.06 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.1 mmm -70.57 -57.88 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 99' ' ' LYS . 75.8 t -53.64 -56.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 15.6 ptp -46.71 -32.15 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -82.57 -45.44 14.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.81 -52.33 65.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.7 p -39.14 -50.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -38.4 -46.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -73.3 -48.89 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -40.55 -59.91 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -60.54 -49.36 77.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.2 tp -46.3 -57.24 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.724 ' CE1' ' CD1' ' A' ' 50' ' ' PHE . 35.9 m-85 -67.66 -52.04 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 113' ' ' PHE . 20.5 tpt180 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.941 0.401 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -59.47 -50.92 72.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.3 tp -46.78 -49.58 19.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -53.86 -47.95 70.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.3 m -55.62 -60.82 2.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.434 ' CZ3' ' HA ' ' A' ' 110' ' ' TYR . 89.9 t90 -50.85 -40.89 57.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.97 -43.98 90.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.71 -44.24 90.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -59.87 -60.15 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -46.88 -54.74 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -63.83 -35.62 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -40.02 141.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.34 -41.96 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 14.8 m-85 -52.85 161.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 28' ' ' VAL . 12.9 pt20 -97.01 145.39 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 51.05 35.76 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 26' ' ' GLN . 56.4 t -127.2 96.8 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -111.36 104.42 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -95.82 110.27 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.5 p -119.98 -36.32 3.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -122.02 -176.81 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 mt -117.59 14.45 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -118.23 -40.56 2.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.1 p -99.53 -37.99 8.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -51.45 -32.18 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.43 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 2.9 m95 -108.72 31.38 5.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -86.13 -37.91 18.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.5 t -82.9 -47.7 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 129.66 -41.74 1.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.771 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 77.7 mt -34.36 -43.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.91 -60.89 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.637 HD23 ' HB1' ' A' ' 72' ' ' ALA . 49.8 tp -62.06 -60.49 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 94.4 m -42.39 -45.14 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -51.79 -49.54 62.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -57.64 -47.04 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.563 ' HB ' HD12 ' A' ' 55' ' ' ILE . 55.9 mt -64.09 -62.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -45.33 -44.1 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -40.31 -62.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -73.35 -48.25 35.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -122.94 89.48 50.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -19.45 35.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.232 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.14 -42.61 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.5 mt -59.02 -48.55 81.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.563 HD12 ' HB ' ' A' ' 47' ' ' ILE . 79.9 mt -125.73 139.73 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 59' ' ' SER . 5.4 t30 -118.34 95.44 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.771 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 17.9 t80 -45.37 -52.57 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -38.3 -29.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.463 ' HB2' ' ND2' ' A' ' 56' ' ' ASN . 29.1 t -85.52 -45.98 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.596 HD21 HD23 ' A' ' 71' ' ' LEU . 30.5 mt -50.45 118.06 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -106.61 119.3 38.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' ASN . 17.4 tt0 -37.44 -50.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -37.26 79.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 61' ' ' ASN . 12.9 m-20 -79.7 49.38 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' VAL . . . -52.33 -61.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' ALA . 98.9 t -37.39 -59.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -57.91 -51.42 69.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -44.52 -56.74 4.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.456 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 73.3 m-80 -58.4 -60.09 4.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -41.31 -42.87 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.596 HD23 HD21 ' A' ' 60' ' ' LEU . 59.2 tp -57.73 -61.82 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.637 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -49.18 -46.29 45.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.091 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 23.7 m-85 -61.51 -47.51 85.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -58.96 -46.91 86.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.8 t -63.08 -35.73 72.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -65.29 -36.17 83.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -92.49 -12.02 33.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -92.61 -34.89 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.86 -55.02 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.588 ' CD1' HD21 ' A' ' 112' ' ' LEU . 19.7 m-85 -86.23 -24.38 26.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 73.45 32.51 59.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.4 mt -96.64 123.09 55.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.429 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 54.0 Cg_endo -69.76 132.17 22.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 105' ' ' TYR . 27.1 m -65.13 -35.5 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.3 t -137.9 158.05 45.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 88' ' ' GLY . 28.0 p -95.48 143.07 27.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.9 -46.14 0.61 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -57.93 -64.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.73 0.3 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -53.33 -35.26 60.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -55.67 -58.25 8.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.55 87.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 t -59.95 -59.63 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.1 112.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -57.36 -57.49 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -122.81 97.87 43.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 165.69 30.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -75.1 143.15 43.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.703 ' O ' HG23 ' A' ' 103' ' ' VAL . 11.1 ptpp? -83.5 -38.57 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -49.17 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -62.78 -41.82 99.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.3 mmt -63.81 -47.63 80.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 99' ' ' LYS . 93.0 t -63.31 -58.14 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -51.72 -39.35 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.433 ' CD1' HG13 ' A' ' 85' ' ' VAL . 87.2 t80 -71.05 -50.59 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.425 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 38.0 mt -57.07 -44.55 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -40.94 -46.66 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -43.66 -53.04 6.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -66.7 -52.05 49.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.434 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 4.5 t80 -44.36 -57.39 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -64.74 -48.55 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 80' ' ' PHE . 59.1 tp -45.76 -48.43 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -77.12 -45.28 27.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.891 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.895 0.379 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -58.49 -56.6 19.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 tp -48.12 -46.22 33.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.8 tp -49.48 -45.91 47.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -53.11 -55.21 25.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -49.88 -52.46 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.9 m -58.33 -50.07 74.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -56.98 -34.01 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -67.34 -51.44 52.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -57.46 -51.17 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.1 p -65.13 -35.31 80.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -38.44 126.14 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.82 -39.61 2.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -53.9 169.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.74 ' O ' HG23 ' A' ' 28' ' ' VAL . 34.0 mt-30 -102.1 149.13 24.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.4 m170 45.23 34.4 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 26' ' ' GLN . 73.3 t -125.8 97.9 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -116.34 107.85 15.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.8 t -98.88 110.98 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.7 p -122.29 -37.65 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.34 140.24 52.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mt -83.78 37.81 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.1 p -134.82 -46.95 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 p -101.64 -21.86 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.552 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 28.0 p -67.45 -14.89 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CD1' ' OG ' ' A' ' 36' ' ' SER . 16.0 m95 -115.34 5.72 14.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -65.34 -40.84 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -76.99 -39.97 48.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.92 -39.72 2.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -38.63 -40.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -49.26 -61.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.473 HD23 ' HB1' ' A' ' 72' ' ' ALA . 34.9 tp -62.64 -48.72 78.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.405 ' HB3' HG21 ' A' ' 55' ' ' ILE . 61.3 m -50.01 -40.65 45.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.94 -47.05 87.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.7 mt -59.88 -48.28 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.29 -62.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 2.2 t-80 -47.2 -44.59 22.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -41.02 -63.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -69.47 -45.84 68.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -128.39 89.49 49.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 54.5 Cg_endo -69.75 -8.13 22.82 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -76.5 -40.28 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 62.3 mt -63.2 -46.56 86.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.697 ' CG2' HD11 ' A' ' 60' ' ' LEU . 78.2 mt -127.18 143.52 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -118.61 93.33 4.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.619 ' HA ' HD12 ' A' ' 60' ' ' LEU . 10.4 t80 -47.33 -57.91 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.04 -31.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -86.0 -40.61 15.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.697 HD11 ' CG2' ' A' ' 55' ' ' ILE . 61.0 mt -53.33 114.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 1.3 t30 -95.77 121.26 37.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 63' ' ' ASP . 2.2 pm0 -46.19 -47.32 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 1.5 m-20 -58.78 -27.94 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -90.65 43.77 1.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.48 -51.44 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.2 t -45.13 -54.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -64.94 -49.65 69.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 88.7 m-20 -47.04 -52.16 15.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -60.89 -62.09 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.03 -48.13 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.496 HD23 HD21 ' A' ' 60' ' ' LEU . 51.3 tp -53.0 -63.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.473 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -46.29 -50.5 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -54.39 -52.06 62.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.26 -54.17 48.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.8 t -50.53 -37.33 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.79 81.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -92.11 -12.17 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -93.35 -34.75 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -102.21 -55.28 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -85.12 -24.02 28.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.32 23.13 74.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 90.5 mt -87.42 124.94 67.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.33 15.84 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 157.15 61.43 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.2 m -99.32 -34.16 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.8 t -136.61 167.24 21.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 22.2 p -103.79 139.19 39.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.0 -49.3 1.47 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -56.53 -61.04 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -54.16 -32.35 55.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -51.07 50.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.89 -6.72 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -94.32 -49.03 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.6 116.87 10.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -64.29 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 9.5 tt0 -136.6 104.93 9.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.634 0.731 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.5 Cg_endo -69.76 175.9 7.49 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 99' ' ' LYS . 9.0 t0 -78.56 104.36 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.468 ' O ' HG23 ' A' ' 103' ' ' VAL . 38.1 mtmt -34.37 -41.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.484 ' C ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -67.21 -65.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LEU . 38.8 t -36.96 -45.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.444 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -62.1 -56.41 19.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 99' ' ' LYS . 76.6 t -54.63 -62.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.422 ' HE3' ' HG ' ' A' ' 100' ' ' LEU . 17.4 ptp -41.47 -28.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -82.05 -56.75 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.506 HD22 ' CH2' ' A' ' 37' ' ' TRP . 20.5 mt -52.95 -44.36 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -39.83 -50.32 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -50.5 -47.24 57.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -68.52 -56.26 8.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -41.73 -56.04 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -67.98 -46.17 72.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.8 tp -46.0 -55.63 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -80.38 -50.28 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -52.81 -51.44 60.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -49.44 -52.69 27.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD21 ' O ' ' A' ' 31' ' ' THR . 45.3 tp -53.59 -42.44 67.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -59.8 -49.5 77.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.196 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -58.44 -44.28 89.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.7 m -65.83 -47.71 74.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -51.88 -40.96 61.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -63.28 -53.54 51.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -58.69 -47.86 83.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.439 HG21 HG21 ' A' ' 30' ' ' VAL . 8.1 p -67.82 -31.74 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.148 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -44.41 136.26 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.95 -41.38 2.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -57.34 155.05 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.9 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.404 ' O ' HG23 ' A' ' 28' ' ' VAL . 10.5 mm100 -94.55 143.94 26.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 57.01 32.92 22.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 26' ' ' GLN . 79.6 t -128.87 96.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -110.68 105.72 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.439 HG21 HG21 ' A' ' 22' ' ' THR . 98.7 t -101.81 104.59 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.455 ' O ' HD21 ' A' ' 15' ' ' LEU . 35.5 p -118.69 -35.54 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -121.77 178.94 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 9.6 mt -118.46 34.03 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.98 -54.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.9 p -86.85 -39.36 15.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -56.05 -28.43 57.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.495 ' CZ3' HD22 ' A' ' 106' ' ' LEU . 4.6 m95 -110.08 27.59 9.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -82.5 -37.02 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.441 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 12.9 t -86.9 -45.65 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 128.63 -37.02 2.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' GLY . 54.3 mt -36.12 -51.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.35 -65.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.37 -56.68 18.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.1 m -40.25 -42.11 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.17 86.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.86 -49.22 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.521 ' HB ' HD12 ' A' ' 55' ' ' ILE . 66.5 mt -64.22 -62.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.45 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 5.0 t-80 -41.16 -46.39 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.0 tpt85 -40.73 -63.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.425 ' C ' ' HD2' ' A' ' 51' ' ' ARG . 93.0 m-85 -63.4 -52.33 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HD2' ' C ' ' A' ' 50' ' ' PHE . 7.3 mpt_? -130.39 92.32 35.79 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.75 -8.09 22.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.31 -40.32 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 mt -66.19 -57.97 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.846 ' CG2' HD11 ' A' ' 60' ' ' LEU . 67.3 mt -113.35 137.81 45.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -117.46 84.18 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.588 ' HA ' HD12 ' A' ' 60' ' ' LEU . 6.6 t80 -42.0 -52.57 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 57' ' ' PHE . 6.6 m-20 -37.5 -41.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.6 t -80.99 -44.78 17.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.846 HD11 ' CG2' ' A' ' 55' ' ' ILE . 51.2 mt -50.84 117.41 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.9 t30 -111.1 141.88 44.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.498 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 12.2 mt-10 -42.42 -55.44 3.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.65 -32.75 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 4.2 m-20 -86.21 42.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -62.0 -49.52 75.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.73 -50.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -65.76 -48.33 72.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 90.5 m-20 -48.89 -58.29 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -51.79 -61.06 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -44.86 -47.93 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.8 tp -53.78 -64.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.21 -48.43 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -59.1 -50.13 75.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -58.17 -56.16 25.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -50.71 -40.63 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -69.07 -31.61 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -83.26 -13.65 54.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -99.42 -33.74 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.16 -55.14 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -84.4 -21.35 30.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 69.35 33.76 73.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.717 HD12 ' CE1' ' A' ' 109' ' ' PHE . 62.5 mt -102.2 116.87 62.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.4 11.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.318 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.546 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 53.2 Cg_endo -69.81 138.38 37.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.295 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.16 -27.56 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.483 HG21 ' SD ' ' A' ' 91' ' ' MET . 9.0 t -135.63 153.78 51.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLY . 73.0 p -95.68 139.69 31.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.73 -51.01 0.78 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -48.29 -59.15 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.25 -48.19 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.483 ' SD ' HG21 ' A' ' 86' ' ' THR . 10.8 tpt -48.18 -42.04 28.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.11 -38.68 24.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -60.52 -60.32 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.34 114.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -55.64 -51.88 65.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 18.1 tt0 -132.28 99.81 15.84 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.9 Cg_endo -69.71 179.61 3.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.06 126.34 35.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.778 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -60.41 -30.37 69.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.58 HD22 ' HG2' ' A' ' 99' ' ' LYS . 3.4 mm? -67.49 -56.73 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.1 p -53.95 -38.08 64.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 51.5 mmm -70.58 -54.15 13.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 99' ' ' LYS . 95.0 t -55.84 -50.98 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 19.7 ptm -54.61 -37.86 66.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.546 ' CE1' ' HA ' ' A' ' 84' ' ' PRO . 60.6 t80 -73.66 -64.69 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.495 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 9.1 mt -46.75 -44.56 19.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.1 m -44.49 -46.0 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -47.28 -40.25 16.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.717 ' CE1' HD12 ' A' ' 82' ' ' ILE . 46.3 m-85 -77.13 -49.42 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -43.03 -53.38 4.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.67 -52.48 30.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.2 tp -43.93 -48.73 8.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -72.49 -50.71 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.973 0.416 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -77.45 -43.17 33.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 tp -53.39 -51.44 62.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 tp -47.52 -47.55 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.6 m -52.58 -49.7 64.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -55.46 -57.23 12.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.9 m -55.87 -40.03 72.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -63.47 -43.85 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -60.4 -48.35 82.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.18 -49.55 75.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.542 HG21 HG21 ' A' ' 30' ' ' VAL . 25.4 p -67.35 -26.86 66.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -48.19 144.6 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.04 -41.26 2.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.96 162.33 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.956 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' ' 28' ' ' VAL . 36.2 mt-30 -97.9 154.84 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 43.5 27.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 26' ' ' GLN . 53.8 t -123.34 93.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -110.83 109.38 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.542 HG21 HG21 ' A' ' 22' ' ' THR . 91.9 t -103.53 100.68 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.3 p -112.1 -34.75 5.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -125.04 179.64 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.549 HD13 HG22 ' A' ' 103' ' ' VAL . 40.6 mt -116.14 25.25 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 p -124.61 -62.05 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.3 p -81.61 -43.33 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -48.98 -37.91 21.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 5.2 m95 -102.26 31.82 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -87.2 -36.94 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -79.9 -40.15 28.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.23 21.26 10.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 62' ' ' GLU . 70.5 mt -94.75 -40.01 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.8 -51.17 66.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.526 HD23 ' CB ' ' A' ' 72' ' ' ALA . 63.4 tp -60.19 -50.63 72.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.4 m -51.31 -41.71 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.68 83.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.53 -51.5 71.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.747 ' HB ' HD12 ' A' ' 55' ' ' ILE . 16.5 mt -65.19 -55.62 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -49.62 -49.46 46.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -40.08 -56.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -73.02 -48.61 34.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -127.35 89.82 50.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.77 29.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -75.25 -36.98 61.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.35 -43.6 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.747 HD12 ' HB ' ' A' ' 47' ' ' ILE . 76.1 mt -128.0 135.19 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -117.55 93.22 4.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LEU . 34.5 t80 -44.48 -55.66 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PHE . 11.8 m-20 -36.01 -37.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -81.27 -41.8 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.496 HD21 HD23 ' A' ' 71' ' ' LEU . 64.9 mt -52.46 119.86 4.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.2 t30 -105.94 118.93 37.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HA ' HD11 ' A' ' 41' ' ' LEU . 29.9 tt0 -41.16 -48.77 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -33.67 71.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' ASN . 46.3 m-20 -84.99 46.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.58 -60.92 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.062 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.548 HG11 ' HE3' ' A' ' 89' ' ' LYS . 98.1 t -39.91 -46.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.46 -44.53 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -56.61 -59.28 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -52.78 -61.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.85 -45.63 7.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.496 HD23 HD21 ' A' ' 60' ' ' LEU . 64.5 tp -54.71 -68.92 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.526 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -39.66 -44.89 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -63.05 -53.62 50.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -55.15 -44.46 75.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.56 -41.32 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -71.75 -31.71 66.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -83.45 -13.05 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -101.55 -34.92 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -93.76 -55.01 3.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.458 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 10.9 m-85 -83.55 -22.0 32.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.73 31.78 60.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.8 mt -103.49 122.32 45.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 128.79 16.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 144.62 54.44 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.2 m -85.28 -30.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.5 t -136.77 154.95 50.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.0 p -95.94 138.64 33.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.9 -48.54 1.38 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.548 ' HE3' HG11 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -46.22 -53.3 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.9 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.26 -41.42 66.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.1 tpt -50.79 -39.11 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.34 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 m -61.78 -59.07 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.17 125.34 15.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -68.3 -56.44 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 36.4 tt0 -124.24 97.24 40.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.657 0.741 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.5 Cg_endo -69.8 173.18 11.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.254 . . . . 0.0 112.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.35 124.34 27.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.684 ' HG3' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -65.97 -26.37 67.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.684 HD22 ' HG3' ' A' ' 99' ' ' LYS . 3.2 mm? -72.14 -55.34 7.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.4 t -57.28 -29.93 64.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 47.1 mmm -79.07 -53.05 7.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 99' ' ' LYS . 54.8 t -57.63 -40.49 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.431 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 3.6 ptt? -66.39 -41.16 89.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.431 ' N ' ' HG3' ' A' ' 104' ' ' MET . 56.8 t80 -67.44 -53.77 26.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 71.5 mt -50.53 -47.12 57.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.3 m -44.12 -34.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -49.0 -50.01 38.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -77.81 -50.51 12.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -39.45 -49.21 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.1 -54.11 16.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.3 tp -45.39 -50.66 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -76.2 -52.1 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.95 0.405 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -93.31 -26.22 17.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' HG13 ' A' ' 103' ' ' VAL . 29.2 tp -66.63 -40.77 88.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.4 tp -52.91 -54.15 38.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.5 m -45.54 -60.07 2.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -42.84 -57.63 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 70.7 m -52.07 -57.4 9.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -47.65 -43.24 26.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.74 -53.26 57.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -53.86 -44.53 70.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.1 p -83.85 21.3 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -82.55 129.96 35.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.66 -45.44 1.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -48.46 148.29 2.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 28' ' ' VAL . 10.5 mt-30 -94.91 151.55 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 58.35 25.48 12.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 26' ' ' GLN . 85.5 t -127.9 99.15 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -115.22 103.85 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.56 107.76 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.6 p -118.99 -25.47 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -132.98 -175.1 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.553 HD13 HG22 ' A' ' 103' ' ' VAL . 10.6 mt -120.6 29.98 7.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -127.43 -70.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -82.0 -29.49 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 30.2 m -58.81 -15.38 12.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 6.1 m95 -124.54 29.72 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -89.78 -35.47 15.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.2 t -76.37 -36.22 58.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.39 -20.75 32.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.657 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 38.3 mt -62.98 -14.76 51.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -73.55 -59.9 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.4 tp -69.95 -44.51 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 72' ' ' ALA . 74.4 m -53.71 -30.97 46.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.5 -48.13 67.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.53 HG22 ' CE2' ' A' ' 113' ' ' PHE . 65.9 mt -58.59 -39.46 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.8 mt -72.85 -51.87 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -67.53 -15.57 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -75.93 -56.64 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.709 ' CE1' ' CG ' ' A' ' 51' ' ' ARG . 1.2 p90 -79.87 -38.88 31.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.709 ' CG ' ' CE1' ' A' ' 50' ' ' PHE . 7.2 mmp_? -135.0 89.56 23.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -23.81 30.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.98 -27.82 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.706 HD22 ' HG3' ' A' ' 79' ' ' GLU . 18.2 mt -82.74 -47.54 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' ' 72' ' ' ALA . 4.8 mt -130.92 149.2 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.92 100.87 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.657 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 7.6 t80 -48.42 -41.98 30.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -43.93 -45.39 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.4 m -79.76 -21.61 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 57' ' ' PHE . 81.4 mt -71.91 118.08 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.3 t30 -102.8 120.82 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -43.99 -48.37 8.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -59.52 -30.17 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ASN . 6.3 m-20 -85.52 59.37 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.813 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.66 80.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -52.25 -53.13 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -67.28 -45.44 76.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -50.69 -58.1 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.475 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 74.0 m-80 -55.01 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -40.28 -47.65 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.541 HD23 HD21 ' A' ' 60' ' ' LEU . 57.4 tp -53.5 -68.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -41.96 -50.16 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 14.8 m-30 -57.45 -48.57 78.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -58.8 -44.82 90.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.9 t -58.03 -37.44 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' PHE . . . -65.59 -59.66 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -65.2 -14.4 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.8 ttt85 -89.83 -37.51 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.706 ' HG3' HD22 ' A' ' 54' ' ' LEU . 27.0 mm-40 -105.23 -53.64 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.568 ' CD1' HD21 ' A' ' 112' ' ' LEU . 6.1 m-85 -82.58 -15.49 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 70.23 4.17 49.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.452 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.869 HD13 ' HB3' ' A' ' 108' ' ' LYS . 53.9 mt -74.07 120.89 83.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 111.127 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.24 35.02 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.27 69.17 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.356 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.594 HG13 ' CD1' ' A' ' 105' ' ' TYR . 21.9 m -98.25 -29.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -138.28 154.84 49.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 80.8 p -89.25 132.77 34.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.46 -47.74 1.61 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -55.23 -61.32 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.713 0.292 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.32 -42.39 73.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -47.51 -56.76 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.75 61.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -57.92 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.33 107.89 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -51.97 -65.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.38 99.05 48.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.695 0.759 . . . . 0.0 110.834 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -176.26 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -82.71 116.67 22.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.772 ' O ' HG23 ' A' ' 103' ' ' VAL . 55.8 mttm -43.33 -36.93 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 102' ' ' MET . 1.4 mm? -67.63 -67.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' LEU . 34.7 m -36.72 -30.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.58 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.0 OUTLIER -81.71 -49.15 10.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 99' ' ' LYS . 58.3 t -62.58 -49.47 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 10.7 ptp -53.38 -36.29 61.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.594 ' CD1' HG13 ' A' ' 85' ' ' VAL . 28.3 t80 -75.15 -40.97 59.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.0 mt -63.07 -26.72 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.1 m -60.13 -42.02 93.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.869 ' HB3' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -54.45 -40.02 67.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -81.22 -55.52 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -39.68 -49.77 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -68.56 -42.79 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.568 HD21 ' CD1' ' A' ' 80' ' ' PHE . 13.2 tp -55.55 -44.89 77.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.53 ' CE2' HG22 ' A' ' 46' ' ' ILE . 3.4 m-85 -73.34 -52.44 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.906 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.958 0.409 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.46 -54.97 18.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.832 HD22 HG13 ' A' ' 103' ' ' VAL . 38.9 tp -44.56 -56.69 4.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 tp -49.94 -52.34 34.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -39.46 -60.81 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.506 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 47.6 t90 -51.84 -61.54 2.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.434 ' O ' HG23 ' A' ' 22' ' ' THR . 70.9 m -45.34 -42.35 9.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -69.12 -43.02 75.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -60.21 -50.41 73.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.506 ' NE2' ' CD1' ' A' ' 17' ' ' TRP . 16.1 mm-40 -64.24 -47.53 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 18' ' ' CYS . 39.7 p -64.54 -35.03 79.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -39.54 137.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.34 -44.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -49.8 144.64 6.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -84.41 138.68 32.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 m170 61.73 26.39 16.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -126.97 92.46 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -108.84 85.12 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG21 HG21 ' A' ' 22' ' ' THR . 64.8 t -75.8 106.53 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 38.8 p -117.33 -33.97 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -122.03 -177.84 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 20.9 mt -117.06 14.11 14.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 p -117.17 -60.9 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -77.32 -46.1 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -48.15 -34.49 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.549 ' CZ3' ' CD2' ' A' ' 106' ' ' LEU . 1.4 m95 -109.46 36.13 3.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -85.39 -39.06 18.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.597 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 12.4 t -87.89 -41.54 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 128.88 -36.06 2.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' GLY . 62.5 mt -36.08 -53.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.47 -61.28 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.3 tp -64.94 -46.94 79.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 83.8 m -50.77 -34.12 26.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.34 -48.37 81.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -57.54 -50.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.464 ' HB ' HD12 ' A' ' 55' ' ' ILE . 77.8 mt -59.92 -58.79 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -50.5 -43.82 55.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.9 tpt85 -41.56 -63.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CD1' ' CE1' ' A' ' 113' ' ' PHE . 78.0 m-85 -70.03 -48.44 57.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -128.9 89.47 48.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.709 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -13.97 35.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.65 2.233 . . . . 0.0 112.401 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.14 -36.0 71.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.0 mt -67.56 -44.74 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.569 ' CG2' HD11 ' A' ' 60' ' ' LEU . 56.7 mt -130.2 133.05 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -111.75 96.63 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.76 ' HA ' HD12 ' A' ' 60' ' ' LEU . 4.8 t80 -47.3 -48.51 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -45.28 -36.11 3.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.5 t -83.58 -37.39 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 57' ' ' PHE . 72.8 mt -52.82 118.58 3.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 1.1 t30 -100.66 113.24 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -43.16 -46.0 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 5.4 t70 -61.16 -31.91 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' ASN . 12.6 m-20 -88.09 45.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -45.34 -55.17 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -43.35 -57.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -58.32 -49.9 75.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -51.0 -59.96 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' GLN . 61.4 m-20 -51.25 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' ASN . 2.9 tp-100 -36.37 -47.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.64 -61.68 2.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.84 -52.47 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 22.7 m-85 -56.61 -48.41 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.57 -59.32 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.1 t -47.75 -41.46 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -66.79 -34.41 77.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -80.32 -15.8 56.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -98.55 -27.93 13.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -105.41 -55.22 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.489 ' CD1' HD21 ' A' ' 112' ' ' LEU . 16.4 m-85 -83.77 -20.69 32.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 68.55 36.91 84.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.432 HD12 ' CE1' ' A' ' 109' ' ' PHE . 82.4 mt -108.87 124.12 35.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 111.127 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.8 41.17 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 152.8 69.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.6 m -97.83 -32.65 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.4 t -138.17 162.41 34.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.7 p -89.8 140.05 29.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.34 -36.49 4.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.44 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -62.51 -50.93 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -68.57 -39.5 80.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.3 tpt -51.41 -43.53 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.38 -38.76 15.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -60.59 -61.26 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.84 116.55 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -50.98 -58.34 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.403 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 26.7 tt0 -127.22 105.83 21.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.8 Cg_endo -69.74 176.75 6.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.52 142.56 39.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.473 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -77.99 -30.39 50.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -73.76 -65.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 104' ' ' MET . 32.6 m -41.04 -40.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -61.62 -57.76 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.832 HG13 HD22 ' A' ' 14' ' ' LEU . 77.9 t -52.61 -65.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 101' ' ' SER . 14.4 ptp -35.87 -32.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' VAL . 41.6 t80 -84.52 -42.42 15.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.549 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 20.4 mt -64.08 -49.08 73.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.2 p -45.58 -52.07 11.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.17 -44.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.432 ' CE1' HD12 ' A' ' 82' ' ' ILE . 23.3 m-85 -74.66 -46.57 37.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -42.19 -58.25 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.95 -57.46 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.489 HD21 ' CD1' ' A' ' 80' ' ' PHE . 16.6 tp -45.26 -62.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 50' ' ' PHE . 30.8 m-85 -56.87 -51.39 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.92 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.949 0.404 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -60.02 -45.92 91.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD12 ' CG ' ' A' ' 110' ' ' TYR . 27.6 tp -48.19 -62.12 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.5 tp -39.94 -51.31 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.8 m -43.96 -58.02 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -49.64 -61.77 1.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.4 m -46.87 -51.47 16.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.78 -45.04 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -63.14 -55.83 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -49.02 -44.64 41.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.8 p -93.44 36.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -91.54 117.58 29.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 113.39 -46.13 1.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' GLY . 8.8 m-85 -36.04 148.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.959 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.441 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -90.01 146.7 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 m170 54.74 31.76 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' GLN . 57.0 t -128.24 93.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.89 111.97 23.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -101.14 104.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.8 p -111.93 -38.89 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -128.59 -175.67 3.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 21.4 mt -114.74 19.62 15.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 p -130.91 -32.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.9 p -97.3 -47.79 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.537 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 20.3 p -58.73 -11.73 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.537 ' CD1' ' OG ' ' A' ' 36' ' ' SER . 10.1 m95 -119.08 18.12 13.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -74.55 -43.68 54.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.476 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 16.2 t -78.03 -40.83 37.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 118.14 -38.15 3.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.448 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 67.0 mt -36.39 -56.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -33.99 -67.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.97 -52.2 65.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.435 ' HB3' HG21 ' A' ' 55' ' ' ILE . 81.2 m -46.79 -37.35 8.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.31 -48.68 80.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.61 -43.02 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.629 ' HB ' HD12 ' A' ' 55' ' ' ILE . 47.5 mt -71.95 -56.62 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -49.5 -47.98 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -64.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -69.3 -51.03 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.483 ' HB2' HD12 ' A' ' 54' ' ' LEU . 5.2 mmp_? -124.15 90.59 50.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.51 29.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.81 -30.82 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 51' ' ' ARG . 59.6 mt -72.6 -44.43 62.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.629 HD12 ' HB ' ' A' ' 47' ' ' ILE . 80.8 mt -131.44 134.38 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -109.2 88.1 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.723 ' HA ' HD12 ' A' ' 60' ' ' LEU . 8.0 t80 -46.15 -52.32 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -39.75 -38.56 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -77.51 -41.85 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 57' ' ' PHE . 57.6 mt -50.39 119.72 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.702 HD22 ' HB3' ' A' ' 63' ' ' ASP . 3.8 t30 -110.08 119.11 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 63' ' ' ASP . 2.7 pp20? -35.01 -52.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.702 ' HB3' HD22 ' A' ' 61' ' ' ASN . 26.6 t70 -55.19 -41.9 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ASN . 17.9 m-20 -79.76 43.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' VAL . . . -47.63 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' ALA . 92.4 t -37.39 -57.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -56.99 -50.46 72.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.432 ' OD1' HD22 ' A' ' 60' ' ' LEU . 88.7 m-20 -52.5 -59.41 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 39' ' ' SER . 58.1 m-20 -55.44 -59.46 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -46.42 -46.05 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 60' ' ' LEU . 40.5 tp -51.52 -64.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.78 -50.44 25.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -54.85 -49.3 71.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.86 -43.04 99.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.9 t -64.97 -36.8 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -70.68 -30.67 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -86.21 -15.96 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.13 -33.26 10.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -97.53 -55.09 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -86.48 -23.12 26.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 72.88 30.57 63.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.446 HD12 ' CE1' ' A' ' 109' ' ' PHE . 50.6 mt -100.74 120.73 54.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.158 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.79 11.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.411 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 54.1 Cg_endo -69.77 142.79 48.85 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.2 m -79.84 -31.0 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -138.14 158.3 44.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.9 p -96.36 139.58 32.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.58 -48.35 1.26 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -47.97 -52.31 20.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.91 -42.33 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.5 tpt -47.82 -39.8 19.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.78 -38.74 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -62.94 -61.77 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.25 112.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -43.25 -57.25 3.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -135.52 114.79 11.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.645 0.736 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.75 10.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.84 127.57 32.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 103' ' ' VAL . 18.3 ttmm -60.52 -46.2 91.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.39 -66.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 104' ' ' MET . 7.5 t -40.67 -43.42 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 55.1 mmm -67.06 -54.2 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 99' ' ' LYS . 95.5 t -52.34 -47.84 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 18.1 ptp -60.68 -40.61 92.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.463 ' N ' ' HG3' ' A' ' 104' ' ' MET . 51.4 t80 -66.36 -57.78 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.9 mt -50.03 -50.07 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 t -42.42 -36.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HD3' HG21 ' A' ' 82' ' ' ILE . 22.1 mtpt -54.37 -45.05 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.446 ' CE1' HD12 ' A' ' 82' ' ' ILE . 30.2 m-85 -77.33 -44.61 28.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.444 ' CG ' HD12 ' A' ' 14' ' ' LEU . 7.7 t80 -43.81 -59.03 2.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -68.47 -43.35 77.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.5 tp -43.76 -46.4 7.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -92.93 -52.21 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 110' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.954 0.407 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -51.1 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -51.89 -56.34 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 tp -49.2 -51.77 30.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.1 m -45.72 -59.61 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -49.29 -52.44 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.5 m -54.52 -51.55 64.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -48.44 -47.0 38.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -58.0 -49.09 78.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -55.4 -49.06 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.545 HG22 ' HB3' ' A' ' 45' ' ' ALA . 68.0 p -85.71 34.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -83.32 137.08 34.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 90.01 -41.29 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.541 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' GLY . 22.3 m-85 -36.74 135.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -82.71 144.38 30.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 58.45 25.23 12.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -125.66 100.64 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -118.68 90.13 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.2 t -76.96 123.04 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 t -131.49 -32.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.85 -175.21 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.519 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 12.1 mt -119.91 32.98 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.1 p -128.18 -57.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.2 p -86.06 -42.71 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 4.4 m -52.51 -32.29 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 2.8 m95 -109.72 33.25 4.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HA ' ' HE3' ' A' ' 91' ' ' MET . 25.7 ptt-85 -87.24 -39.11 15.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 47.7 t -87.62 -39.3 15.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 124.71 -36.12 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' GLY . 93.6 mt -35.71 -48.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -44.8 -63.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.7 tp -61.61 -55.21 33.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.3 m -43.45 -34.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.545 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -62.06 -49.04 77.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -57.64 -55.11 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.467 ' HB ' HD12 ' A' ' 55' ' ' ILE . 79.0 mt -55.74 -61.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -38.56 -49.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -45.69 -56.71 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -68.96 -54.57 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -126.17 89.39 52.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -6.47 18.66 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -80.79 -38.04 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.2 mt -68.22 -42.9 79.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.739 ' CG2' HD11 ' A' ' 60' ' ' LEU . 68.4 mt -125.51 140.84 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.3 m-20 -114.35 79.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.7 ' HA ' HD12 ' A' ' 60' ' ' LEU . 5.0 t80 -40.78 -46.92 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.91 -38.56 70.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' ASN . 5.6 t -80.23 -32.73 38.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.739 HD11 ' CG2' ' A' ' 55' ' ' ILE . 97.1 mt -54.91 118.89 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.614 HD22 ' HB3' ' A' ' 63' ' ' ASP . 9.7 t30 -102.49 117.92 35.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -39.55 -49.28 2.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.614 ' HB3' HD22 ' A' ' 61' ' ' ASN . 19.2 t0 -55.53 -36.91 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -81.55 40.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.96 -47.52 52.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.8 t -48.71 -53.19 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -65.39 -47.23 77.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -51.52 -55.44 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 39' ' ' SER . 67.3 m-20 -57.38 -63.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -44.88 -39.87 5.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.88 -66.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.13 -44.38 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -64.57 -54.33 33.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.92 -44.51 70.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.38 -38.57 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.92 59.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.069 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -95.89 -11.87 26.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -103.75 -34.0 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.73 -45.25 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.438 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 4.3 m-85 -98.09 -23.07 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.84 54.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.9 mt -99.75 119.63 59.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 124.87 11.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.32 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.66 51.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.2 m -80.87 -31.17 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.589 HG21 ' SD ' ' A' ' 91' ' ' MET . 9.4 t -136.05 152.19 50.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 88' ' ' GLY . 71.1 p -94.8 132.92 39.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.92 -49.05 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -64.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -65.43 -46.41 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.589 ' SD ' HG21 ' A' ' 86' ' ' THR . 10.6 tpt -41.2 -52.8 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.78 90.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.6 m -57.48 -61.69 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.28 124.34 15.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -69.55 -51.63 33.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 9.1 tt0 -125.02 103.52 30.36 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.1 Cg_endo -69.72 -176.11 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' LYS . 2.2 m-20 -88.88 104.78 17.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.768 ' O ' HG23 ' A' ' 103' ' ' VAL . 14.0 ttmt -38.1 -40.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.25 -67.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 t -38.76 -44.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.7 mmm -65.66 -48.56 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 99' ' ' LYS . 88.6 t -60.04 -50.81 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.6 ptm -60.55 -39.09 86.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.46 -44.89 73.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 103' ' ' VAL . 20.1 mt -53.76 -51.77 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.5 p -39.88 -39.15 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -43.71 -47.19 7.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -84.17 -50.78 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.523 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 77.1 t80 -39.8 -54.84 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -60.1 -58.59 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.2 tp -45.14 -61.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -58.13 -52.29 66.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.523 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 26.1 ttp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -56.81 150.08 17.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -66.0 -42.73 89.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.07 62.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -71.77 133.83 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -154.73 130.89 10.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.12 -64.04 0.62 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -128.21 131.57 48.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.449 ' CG2' ' HD2' ' A' ' 11' ' ' PRO . 22.9 mm -103.15 146.06 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 7.6 mmm180 -74.58 -62.16 1.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.5 Cg_endo -69.79 6.82 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t -41.2 -54.95 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -67.04 -43.99 81.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -51.12 -56.52 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 tp -42.34 -58.09 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' TRP . 17.4 m -38.34 -69.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' THR . 57.1 t90 -37.44 -59.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.6 m -52.13 -57.58 9.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -51.3 -36.57 43.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -66.9 -49.97 63.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -59.39 -47.25 86.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.0 p -70.99 -24.95 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -47.19 133.96 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.07 -48.09 1.0 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -46.43 169.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 28' ' ' VAL . 25.7 mp0 -109.89 147.77 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 56.01 25.5 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 26' ' ' GLN . 95.9 t -128.27 96.78 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -112.63 100.74 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.69 113.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.7 p -119.92 -22.33 6.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.79 -175.18 3.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 11' ' ' PRO . 11.3 mt -119.62 33.17 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 p -128.85 -74.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t -76.26 -29.33 57.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.508 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 5.8 m -55.04 -14.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.459 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.4 m95 -127.34 29.47 5.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -84.84 -22.63 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.831 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.2 t -96.78 -27.62 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 106.14 -39.73 2.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.447 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 85.7 mt -37.36 -49.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -42.05 -63.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 tp -59.86 -57.34 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.609 ' HB3' HG21 ' A' ' 55' ' ' ILE . 67.6 m -41.27 -40.66 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.0 -47.56 84.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.8 mt -59.26 -47.4 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.415 ' HB ' HD12 ' A' ' 55' ' ' ILE . 58.2 mt -63.19 -69.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.484 ' ND1' ' C ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -39.51 -40.58 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -44.12 -52.66 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.14 -43.75 21.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.679 ' HB2' HD12 ' A' ' 54' ' ' LEU . 25.1 mmt85 -131.16 89.54 41.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.81 31.71 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.467 ' OE1' ' CA ' ' A' ' 51' ' ' ARG . 1.1 pm0 -67.72 -15.43 63.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.679 HD12 ' HB2' ' A' ' 51' ' ' ARG . 23.5 mt -88.84 -50.63 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.609 HG21 ' HB3' ' A' ' 44' ' ' CYS . 91.5 mt -121.8 135.6 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -115.26 87.43 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.593 ' HA ' HD12 ' A' ' 60' ' ' LEU . 4.2 t80 -46.83 -37.44 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -46.3 -41.9 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.1 t -81.69 -28.59 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 57' ' ' PHE . 73.7 mt -64.56 101.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.518 ' ND2' ' HG3' ' A' ' 62' ' ' GLU . 2.0 t-20 -98.49 131.55 44.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' HG3' ' ND2' ' A' ' 61' ' ' ASN . 1.2 pp20? -35.01 -53.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -51.87 -42.05 62.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' ASN . 94.0 m-20 -79.06 49.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.22 -57.23 13.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -43.87 -54.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.39 -44.89 93.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.434 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 52.4 m-20 -54.86 -30.41 57.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -81.8 -58.81 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -45.92 -42.6 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.7 tp -53.38 -62.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.38 -50.01 63.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -52.09 -61.08 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.34 -55.91 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -48.71 -44.61 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -69.09 -26.89 65.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -87.27 -15.0 39.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -97.15 -33.62 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -98.28 -55.35 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -85.95 -24.04 26.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 77.57 16.71 79.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.4 mt -87.55 112.27 47.35 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.723 . . . . 0.0 111.121 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 135.62 30.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.51 28.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.623 2.215 . . . . 0.0 112.364 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.82 -32.52 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.481 HG21 ' SD ' ' A' ' 91' ' ' MET . 5.4 t -127.34 161.58 28.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLY . 75.5 p -92.51 136.48 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.4 -50.17 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -55.81 -52.56 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.57 -40.84 93.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.481 ' SD ' HG21 ' A' ' 86' ' ' THR . 9.3 tpt -54.02 -45.62 71.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.86 -38.32 38.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -60.37 -58.69 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.65 126.63 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.111 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -74.14 -52.91 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 32.8 tt0 -128.35 96.51 30.64 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.621 0.725 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.4 Cg_endo -69.78 -178.23 2.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.733 2.289 . . . . 0.0 112.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.67 107.31 18.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 103' ' ' VAL . 36.2 ttpt -44.61 -31.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.72 -66.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.6 m -46.5 -28.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.9 mmm -74.22 -54.44 7.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 99' ' ' LYS . 53.9 t -53.28 -52.47 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 17.8 ptp -51.35 -36.73 44.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.412 ' N ' ' HG3' ' A' ' 104' ' ' MET . 56.7 t80 -75.63 -58.93 2.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.6 mt -49.8 -42.48 46.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.3 m -43.4 -49.12 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -48.62 -41.3 30.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -73.26 -27.51 61.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -71.62 -50.43 30.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.31 -41.21 70.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.27 -37.25 72.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -86.71 -48.89 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -67.87 102.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.46 -117.61 3.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 69.9 p -67.16 144.11 98.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 111.139 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 141.36 45.01 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 118' ' ' LEU . 1.1 pt? -147.56 131.33 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.5 148.32 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.44 13.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.899 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -82.37 95.06 7.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -137.94 162.75 33.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.58 -122.82 23.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 67.54 43.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -106.79 -46.9 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.59 169.36 28.67 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.57 130.76 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.863 HG22 ' HD2' ' A' ' 11' ' ' PRO . 6.5 mt -84.85 147.51 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 19.6 mmm-85 -33.01 -60.14 0.4 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.863 ' HD2' HG22 ' A' ' 9' ' ' ILE . 53.7 Cg_endo -69.74 -51.26 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.6 m -38.45 -36.49 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -47.9 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD21 ' CD1' ' A' ' 106' ' ' LEU . 13.8 tp -53.33 -48.99 68.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.8 tp -48.96 -50.34 36.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -50.02 -61.42 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -45.77 -48.8 15.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.7 m -64.12 -38.77 92.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -62.12 -43.19 99.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -62.44 -57.78 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -49.53 -50.42 41.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' GLU . 41.2 p -67.55 -37.85 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' THR . 9.7 tt0 -37.29 133.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.05 -42.71 1.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -54.99 166.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.848 ' O ' HG23 ' A' ' 28' ' ' VAL . 2.4 mp0 -99.1 154.93 17.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 43.11 28.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 26' ' ' GLN . 83.8 t -125.18 97.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -117.45 99.34 6.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -89.32 112.49 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.0 p -120.92 -37.43 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -124.16 -178.61 4.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -119.7 31.01 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 p -132.68 -44.94 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.5 p -96.62 -40.37 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -54.67 -32.39 59.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.485 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.9 m95 -110.41 34.88 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.473 ' HA ' ' HE3' ' A' ' 91' ' ' MET . 14.4 ptt180 -86.12 -36.33 19.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 t -89.69 -39.09 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 125.2 -36.69 2.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 73.4 mt -34.62 -56.09 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.12 -57.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.07 -59.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.0 m -40.79 -39.64 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.96 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.3 -56.11 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.62 ' HB ' HD12 ' A' ' 55' ' ' ILE . 17.2 mt -60.34 -65.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -41.54 -42.46 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -49.26 -62.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -66.31 -53.7 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.3 mmt-85 -121.47 89.51 47.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.49 37.03 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.762 2.308 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -70.26 -29.0 65.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.473 HD13 ' HG3' ' A' ' 79' ' ' GLU . 74.0 mt -74.35 -59.41 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.62 HD12 ' HB ' ' A' ' 47' ' ' ILE . 90.4 mt -110.91 140.67 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -115.37 87.63 2.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.471 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 19.0 t80 -53.51 -40.28 65.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -40.47 -42.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -80.18 -47.38 14.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.755 HD21 HD22 ' A' ' 71' ' ' LEU . 71.0 mt -51.54 113.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.476 ' ND2' ' HB3' ' A' ' 63' ' ' ASP . 1.8 t30 -113.67 144.75 42.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -42.2 -55.72 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.476 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 23.7 t70 -45.99 -33.33 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 1.4 m-20 -92.34 75.53 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.78 -56.57 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.619 HG11 ' HE2' ' A' ' 89' ' ' LYS . 97.5 t -48.28 -51.19 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.6 -48.84 79.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 85.6 m-20 -51.92 -58.22 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -57.28 -63.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -42.75 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.755 HD22 HD21 ' A' ' 60' ' ' LEU . 52.2 tp -57.48 -68.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.36 -46.24 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.12 -47.6 85.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -62.38 -40.65 97.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 55' ' ' ILE . 55.2 t -67.39 -44.57 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.68 74.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -85.67 -12.07 52.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -98.93 -32.67 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' HG3' HD13 ' A' ' 54' ' ' LEU . 50.7 mm-40 -99.15 -54.33 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -86.34 -20.13 28.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.57 33.8 72.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 95.8 mt -100.62 125.67 38.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 129.35 17.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 140.24 42.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 86' ' ' THR . 34.5 m -79.88 -41.16 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.426 ' N ' HG23 ' A' ' 85' ' ' VAL . 11.9 t -127.14 156.88 41.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -90.99 144.5 25.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.48 -45.29 6.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.619 ' HE2' HG11 ' A' ' 66' ' ' VAL . 38.2 mmtt -52.83 -50.21 64.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.48 -47.08 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.473 ' HE3' ' HA ' ' A' ' 38' ' ' ARG . 8.6 tpt -43.58 -44.74 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.06 -38.78 24.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -61.7 -64.57 0.9 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.97 108.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.51 -59.03 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 4.9 tt0 -109.34 96.34 21.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.4 Cg_endo -69.71 179.65 3.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.384 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -84.71 101.37 12.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 103' ' ' VAL . 79.1 tttt -38.54 -50.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.17 -60.06 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.7 m -45.27 -39.84 6.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.0 mmm -69.02 -51.68 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 99' ' ' LYS . 99.6 t -56.13 -51.71 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 5.3 ptm -54.47 -38.25 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.412 ' N ' ' HG3' ' A' ' 104' ' ' MET . 82.6 t80 -71.07 -63.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD1' HD21 ' A' ' 14' ' ' LEU . 11.0 mt -42.45 -48.37 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -41.69 -38.1 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -48.84 -42.58 36.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -83.1 -47.99 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.477 ' CZ ' ' HD2' ' A' ' 114' ' ' ARG . 83.7 t80 -43.89 -61.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.958 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.45 -47.43 85.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.5 tp -48.73 -58.77 4.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -64.65 -50.48 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.477 ' HD2' ' CZ ' ' A' ' 110' ' ' TYR . 26.7 ttt-85 -42.96 -47.4 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.15 106.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -113.24 140.89 24.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.596 0.713 . . . . 0.0 111.109 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 155.38 66.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.726 ' H ' HD12 ' A' ' 118' ' ' LEU . 4.2 mp -65.02 78.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -34.75 130.14 0.47 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 113.52 3.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.378 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -130.26 150.9 51.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -104.14 150.96 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.88 99.24 0.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -164.43 135.56 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -111.28 129.54 55.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.14 -179.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -174.5 161.16 3.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.481 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 4.4 mp -87.95 132.29 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.541 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 54.5 mtt180 -69.77 -57.35 6.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.6 Cg_endo -69.73 8.84 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.481 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 2.2 t -87.94 -63.54 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -52.7 -23.88 7.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -70.09 -55.9 8.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.0 tp -54.75 -42.18 71.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -56.98 -61.87 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.413 ' CZ3' ' HA ' ' A' ' 110' ' ' TYR . 77.3 t90 -47.3 -45.39 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.3 m -65.4 -41.82 93.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -60.13 -44.14 95.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -58.35 -52.22 66.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -55.41 -47.86 75.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 p -68.66 -30.03 68.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -44.13 138.0 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.91 -41.46 2.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -52.77 170.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -111.59 149.26 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 52.86 32.17 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 t -128.4 101.36 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -113.31 105.31 13.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -102.59 110.53 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.2 p -124.31 -30.32 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -124.43 -178.14 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.86 29.25 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 p -124.02 -61.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.47 -29.16 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.652 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 10.3 m -53.89 -16.72 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.423 ' CZ3' HD22 ' A' ' 106' ' ' LEU . 3.6 m95 -126.05 29.16 5.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -81.67 -33.75 31.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.4 t -93.37 -23.48 18.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 102.93 -33.47 6.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.467 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 89.9 mt -36.83 -52.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -39.02 -68.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.31 -48.9 77.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -48.27 -26.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.98 -41.82 50.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.01 -48.97 81.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.472 ' HB ' HD12 ' A' ' 55' ' ' ILE . 42.1 mt -63.24 -52.62 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.487 ' C ' ' ND1' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -57.97 -31.1 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' CD ' ' C ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -48.94 -62.07 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -68.95 -52.27 30.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -123.9 89.57 51.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.726 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.455 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.82 -0.48 7.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.57 -28.98 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.7 mt -72.39 -38.76 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.555 HG23 ' CD2' ' A' ' 71' ' ' LEU . 44.7 mt -128.43 131.13 69.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -101.2 82.91 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.702 ' HA ' HD12 ' A' ' 60' ' ' LEU . 6.1 t80 -59.07 -32.9 70.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -58.49 -19.65 38.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -102.76 -32.91 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 57' ' ' PHE . 86.3 mt -51.44 118.97 3.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.616 HD22 ' HB3' ' A' ' 63' ' ' ASP . 6.6 t30 -105.69 122.8 46.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' ASN . 18.9 tt0 -35.94 -52.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.616 ' HB3' HD22 ' A' ' 61' ' ' ASN . 2.9 t70 -54.94 -40.09 69.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 61' ' ' ASN . 42.3 m-20 -77.16 47.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.12 -57.96 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.7 t -39.42 -55.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.65 -45.24 87.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.441 ' HA ' HD22 ' A' ' 60' ' ' LEU . 89.7 m-20 -49.91 -50.13 47.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -66.04 -56.91 9.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -47.28 -37.96 11.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.693 ' O ' HG23 ' A' ' 75' ' ' VAL . 60.9 tp -58.61 -62.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -39.9 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 7.9 m-30 -61.56 -61.57 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -53.36 -38.55 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 71' ' ' LEU . 79.8 t -63.31 -53.49 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.23 -19.63 65.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -93.43 -14.18 27.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -95.96 -31.4 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.32 -55.11 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -84.54 -22.23 30.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.71 14.88 79.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.3 mt -87.4 114.99 61.29 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.59 0.71 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.08 44.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 153.46 69.02 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.731 HG13 ' CD1' ' A' ' 105' ' ' TYR . 13.6 m -83.39 -38.29 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.602 HG21 ' SD ' ' A' ' 91' ' ' MET . 10.1 t -126.16 165.44 18.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' GLY . 57.1 p -90.51 133.32 35.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.69 -53.82 0.81 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -49.92 -56.73 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.56 -47.41 84.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.602 ' SD ' HG21 ' A' ' 86' ' ' THR . 9.2 tpt -42.28 -42.18 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.5 -34.16 47.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.3 m -60.06 -66.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.17 113.7 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.33 -41.3 94.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -127.46 96.62 32.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.62 30.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.57 111.7 4.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.621 ' O ' HG23 ' A' ' 103' ' ' VAL . 26.1 ttpt -46.62 -23.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -65.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -52.71 -16.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 41.3 mmm -84.44 -53.17 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 99' ' ' LYS . 87.7 t -63.54 -43.77 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 16.2 ptm -58.79 -31.43 68.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.731 ' CD1' HG13 ' A' ' 85' ' ' VAL . 39.0 t80 -81.11 -67.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.423 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 35.1 mt -43.16 -43.17 4.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.3 m -44.18 -39.17 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -58.04 -48.22 80.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -64.81 -42.38 95.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 21.5 t80 -58.31 -61.54 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -57.88 -48.83 78.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.0 tp -53.68 -61.58 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -57.02 -52.41 65.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -44.24 -63.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 138.68 -110.75 0.75 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.575 HG22 ' HD2' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -136.5 138.28 26.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 111.155 -179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.575 ' HD2' HG22 ' A' ' 116' ' ' THR . 53.6 Cg_endo -69.8 176.77 6.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.576 ' C ' HD12 ' A' ' 118' ' ' LEU . 4.1 pp -94.26 149.18 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -141.16 143.78 32.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.1 28.73 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m 63.02 42.45 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -90.61 111.66 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.6 -55.98 8.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -147.65 156.54 42.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 m -118.51 167.15 11.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.52 -158.26 15.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -77.33 146.03 37.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 12' ' ' SER . 46.2 mt -89.45 123.07 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 21.9 mtt-85 -70.98 -59.26 3.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 54.0 Cg_endo -69.75 4.89 1.92 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.482 ' N ' HG22 ' A' ' 9' ' ' ILE . 2.5 t -41.06 -60.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -53.02 -56.63 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.0 tp -46.32 -64.48 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.6 tp -39.81 -54.99 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.2 m -40.31 -53.0 2.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -52.76 -61.2 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.6 m -48.81 -52.77 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -47.92 -45.26 30.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -64.05 -50.65 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -53.47 -44.07 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.441 HG22 ' HB3' ' A' ' 45' ' ' ALA . 43.5 p -92.94 33.98 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -88.65 127.32 35.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 102.59 -44.16 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' GLY . 11.5 m-85 -36.41 152.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.429 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.3 mm100 -93.32 144.13 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 56.08 28.99 13.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 26' ' ' GLN . 71.1 t -126.63 99.47 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -114.86 98.8 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.4 t -91.24 108.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -119.32 -37.06 3.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.191 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -122.64 -176.92 3.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 11' ' ' PRO . 26.0 mt -120.62 31.43 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.1 p -131.78 -53.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.0 p -87.59 -36.83 17.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 m -52.37 -35.37 51.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CH2' HD22 ' A' ' 106' ' ' LEU . 3.5 m95 -104.41 30.06 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -84.61 -37.04 21.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.469 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 10.0 t -85.2 -53.11 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.428 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 135.26 -38.32 1.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD23 ' OD1' ' A' ' 68' ' ' ASN . 53.9 mt -42.84 -36.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.86 -58.34 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 53.9 tp -67.18 -54.13 23.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 92.9 m -42.76 -39.24 2.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -57.03 -57.94 10.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.061 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.0 mt -45.25 -50.68 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mt -63.97 -64.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -46.06 -30.97 2.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -59.8 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -75.49 -48.55 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -123.66 89.44 51.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -24.22 30.09 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.94 -39.47 78.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.37 -49.56 54.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.746 ' CG2' HD11 ' A' ' 60' ' ' LEU . 29.9 mt -131.07 133.31 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -112.61 95.68 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.409 ' HA ' HD12 ' A' ' 60' ' ' LEU . 9.4 t80 -39.19 -36.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.87 -42.6 99.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 56' ' ' ASN . 4.5 m -73.99 -29.77 62.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.746 HD11 ' CG2' ' A' ' 55' ' ' ILE . 88.0 mt -64.28 108.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.639 HD22 ' HB3' ' A' ' 63' ' ' ASP . 19.4 t30 -75.25 112.34 11.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.6 -30.61 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.639 ' HB3' HD22 ' A' ' 61' ' ' ASN . 28.8 t70 -73.02 -33.62 65.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.487 ' CG ' HD21 ' A' ' 61' ' ' ASN . 85.5 m-20 -83.67 54.9 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -52.64 -47.33 67.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.5 t -49.93 -55.5 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.53 -48.64 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.554 ' OD1' HD23 ' A' ' 41' ' ' LEU . 9.1 m-80 -41.99 -59.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 39' ' ' SER . 85.4 m-20 -54.71 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -42.62 -44.19 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.9 tp -56.98 -66.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -43.45 -49.49 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 20.9 m-85 -58.04 -51.39 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.73 -47.79 79.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.1 -45.75 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -66.76 -38.18 86.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -74.21 -11.89 60.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -101.58 -61.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.01 -54.37 10.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -82.97 -15.85 49.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 61.6 33.39 84.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.8 mt -101.88 119.85 55.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 111.082 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 129.2 17.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 150.25 68.18 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.7 m -90.56 -30.41 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -137.54 162.71 33.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.1 p -93.03 138.05 31.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.63 -44.41 4.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -54.05 -50.45 66.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -69.39 -44.76 70.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.9 tpt -49.21 -44.98 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.35 -38.02 42.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.3 m -61.74 -62.66 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.45 117.48 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -61.33 -59.95 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 9.5 tt0 -117.62 96.36 49.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.4 Cg_endo -69.82 179.47 3.7 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -78.73 139.33 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 103' ' ' VAL . 11.8 pttp -75.97 -37.5 58.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.01 -65.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -47.14 -39.11 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -63.94 -48.15 77.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 99' ' ' LYS . 70.2 t -63.9 -63.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.6 ptm -40.6 -39.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -71.69 -60.04 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.546 HD22 ' CH2' ' A' ' 37' ' ' TRP . 19.2 mt -47.04 -45.41 21.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.1 t -42.63 -44.08 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -47.02 -45.72 21.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -74.42 -39.86 62.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -49.53 -57.38 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.49 -48.37 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 tp -47.44 -53.17 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -70.51 -43.45 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.0 ttp85 -70.68 110.0 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.87 -91.93 0.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.603 HG22 ' HD2' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -150.69 138.3 12.06 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.565 0.698 . . . . 0.0 111.122 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.603 ' HD2' HG22 ' A' ' 116' ' ' THR . 54.2 Cg_endo -69.71 -172.31 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 117' ' ' PRO . 9.2 mt 35.03 48.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 34.8 mmm-85 -56.77 148.09 49.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 121.19 7.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -65.2 -60.86 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -47.27 132.12 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.94 129.95 1.07 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -84.77 46.28 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 t -83.18 43.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.71 70.0 1.0 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.65 111.33 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.483 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 81.8 mt -86.85 130.54 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.546 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 13.9 mtp85 -69.87 -57.08 6.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.562 0.696 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.9 Cg_endo -69.74 9.73 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 2.254 . . . . 0.0 112.324 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.483 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 30.7 t -96.76 -46.14 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -60.89 -32.82 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.5 -51.15 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.476 HD11 HG12 ' A' ' 30' ' ' VAL . 54.3 tp -58.35 -40.31 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 m -56.1 -59.79 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -48.94 -49.09 41.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.9 m -60.03 -51.2 70.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -51.54 -36.56 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.29 -49.21 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -62.59 -42.95 99.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 p -73.88 -27.51 61.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -48.28 135.83 13.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.31 -41.68 2.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -55.6 167.91 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.932 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.478 ' O ' HG23 ' A' ' 28' ' ' VAL . 9.2 pm0 -106.35 146.56 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.2 m80 54.28 32.53 16.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 26' ' ' GLN . 67.7 t -125.43 102.64 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.557 ' OD1' HG23 ' A' ' 31' ' ' THR . 1.0 OUTLIER -115.1 104.62 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.476 HG12 HD11 ' A' ' 15' ' ' LEU . 89.4 t -93.44 103.52 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.557 HG23 ' OD1' ' A' ' 29' ' ' ASN . 66.5 p -117.06 -29.52 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -131.66 -175.54 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 15.2 mt -123.92 25.95 7.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 p -130.49 -38.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.0 p -99.27 -48.92 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 12.2 m -52.73 -22.64 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.477 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.3 m95 -115.44 29.55 7.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -86.59 -35.34 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 24.0 t -86.14 -37.71 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 122.21 -38.03 2.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.545 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLY . 56.4 mt -34.74 -49.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -40.55 -66.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 44' ' ' CYS . 30.7 tp -57.97 -57.0 14.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.424 ' SG ' HD13 ' A' ' 60' ' ' LEU . 95.9 m -36.56 -42.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.84 72.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.12 -51.0 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.517 ' HB ' HD12 ' A' ' 55' ' ' ILE . 51.6 mt -64.4 -61.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 3.4 t-80 -43.59 -43.01 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.8 tpt85 -42.81 -61.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -68.63 -51.55 40.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HB2' HD12 ' A' ' 54' ' ' LEU . 40.2 mmt180 -126.68 89.46 52.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.585 0.707 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.74 -15.15 37.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.8 -31.29 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 51' ' ' ARG . 33.8 mt -70.8 -46.01 63.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.554 ' CG2' HD11 ' A' ' 60' ' ' LEU . 96.2 mt -122.18 143.38 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -117.96 93.75 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -54.84 -39.47 68.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -51.34 -35.86 40.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 p -82.14 -47.87 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.554 HD11 ' CG2' ' A' ' 55' ' ' ILE . 47.5 mt -52.54 105.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.4 t30 -103.68 131.48 50.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 61' ' ' ASN . 11.3 pt-20 -35.28 -48.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.452 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 9.8 t0 -49.15 -45.54 43.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.0 m-20 -84.56 61.61 6.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.93 -58.67 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -42.85 -53.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.96 -44.69 95.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -48.57 -55.64 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' OD1' ' CA ' ' A' ' 40' ' ' GLY . 72.8 m-80 -59.42 -60.86 3.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -41.83 -43.21 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.548 HD23 HD21 ' A' ' 60' ' ' LEU . 59.9 tp -56.65 -66.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.16 -45.43 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -59.77 -51.65 68.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.39 -38.85 81.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.4 -46.14 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.423 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -68.02 -30.97 70.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -83.64 -13.82 53.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.444 ' CZ ' ' O ' ' A' ' 78' ' ' ARG . 3.5 tpm_? -99.94 -29.22 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -101.87 -51.83 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 17.2 m-85 -87.69 -20.87 25.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.87 27.98 69.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 84.3 mt -97.63 121.04 59.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.25 20.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.56 40.57 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.5 m -82.82 -28.24 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.459 HG21 ' SD ' ' A' ' 91' ' ' MET . 9.6 t -138.25 155.42 48.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.5 p -89.96 140.86 29.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.83 -37.84 2.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -56.64 -62.06 2.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.01 -38.32 90.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.459 ' SD ' HG21 ' A' ' 86' ' ' THR . 8.9 tpt -56.6 -45.14 81.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.86 -34.82 29.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.6 m -63.77 -61.25 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.51 113.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.471 ' NE2' ' CB ' ' A' ' 96' ' ' GLU . 3.8 pp0? -59.61 -42.88 93.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.471 ' CB ' ' NE2' ' A' ' 95' ' ' GLN . 6.7 tt0 -133.6 96.49 16.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.19 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.44 111.2 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -43.79 -53.29 6.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.19 -66.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.9 m -41.32 -39.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.1 mmt -68.37 -52.44 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.17 -57.51 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.8 ptm -49.19 -33.84 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -76.52 -66.04 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.07 -41.18 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -42.7 -45.24 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -47.94 -52.07 21.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -64.39 -50.87 65.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 114' ' ' ARG . 67.9 t80 -42.42 -46.51 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.954 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -74.34 -53.46 9.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 tp -44.77 -53.01 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -72.14 -47.22 52.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 110' ' ' TYR . 53.9 ttt-85 -60.2 93.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.26 -70.59 0.87 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.9 p -81.47 151.36 68.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 132.54 23.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt -100.28 100.38 11.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.487 ' CD ' ' HD2' ' A' ' 120' ' ' PRO . 11.3 tpt180 -71.65 136.36 83.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.487 ' HD2' ' CD ' ' A' ' 119' ' ' ARG . 54.0 Cg_endo -69.76 108.03 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 p -73.23 103.96 4.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -156.88 175.97 13.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.65 -168.67 14.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -91.35 136.55 33.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -86.67 115.3 24.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.75 -127.14 3.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -67.38 119.09 11.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.484 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 39.6 mt -88.64 126.06 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.532 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 14.3 mtt85 -71.73 -57.96 3.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 54.1 Cg_endo -69.8 9.6 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.629 2.219 . . . . 0.0 112.395 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.484 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 1.2 t -81.75 -50.44 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -58.26 -50.67 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -52.61 -53.8 41.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 tp -49.78 -53.47 24.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.5 m -45.65 -52.89 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -51.72 -57.84 8.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.2 m -53.25 -45.26 68.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -54.97 -46.14 75.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -61.7 -49.58 75.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -53.99 -46.12 71.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -90.85 34.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -85.24 124.27 31.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.94 -41.43 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -38.34 153.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.773 ' O ' HG23 ' A' ' 28' ' ' VAL . 24.7 mm-40 -95.42 157.55 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 42.67 27.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 26' ' ' GLN . 78.9 t -125.95 93.1 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.18 94.53 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -82.36 105.36 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 p -112.51 -38.25 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -123.78 179.03 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mt -114.03 25.58 11.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 p -126.27 -53.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.2 p -83.34 -42.4 17.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.731 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 10.9 m -49.79 -32.26 13.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.48 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 m95 -110.68 36.07 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -91.49 -32.88 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -96.3 -37.43 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.13 -36.24 2.65 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.6 mt -38.36 -43.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -50.56 -63.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 72' ' ' ALA . 61.0 tp -65.31 -53.92 36.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.1 m -43.02 -35.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.87 -60.9 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.1 mt -43.07 -58.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mt -57.6 -67.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -42.73 -27.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.67 -61.03 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -69.8 -51.05 37.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -126.54 89.46 52.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -10.27 28.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.753 2.302 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -75.62 -19.76 58.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.4 mt -87.09 -37.07 17.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.608 ' CG2' HD11 ' A' ' 60' ' ' LEU . 30.8 mt -135.18 137.0 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 18.3 t-20 -108.93 79.57 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.616 ' HA ' HD12 ' A' ' 60' ' ' LEU . 16.5 t80 -45.98 -57.69 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' CG ' ' OD1' ' A' ' 56' ' ' ASN . 3.4 p-10 -37.09 -34.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.427 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 28.2 t -82.58 -48.37 11.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.724 HD22 ' OD1' ' A' ' 68' ' ' ASN . 28.9 mt -50.7 112.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.8 t30 -109.97 145.71 36.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 18.1 tt0 -35.0 -57.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.488 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 3.5 t70 -44.38 -42.57 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 52.6 m-20 -79.84 44.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.52 -59.8 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.9 t -47.4 -46.61 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.73 -45.71 77.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.724 ' OD1' HD22 ' A' ' 60' ' ' LEU . 92.4 m-20 -51.69 -43.27 62.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -68.48 -60.76 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -48.45 -39.72 23.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 tp -56.95 -67.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.464 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -44.3 -47.01 9.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -57.27 -50.39 73.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.76 -44.36 90.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.64 -39.08 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.58 -24.26 61.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -94.19 -14.03 26.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -100.51 -28.95 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -101.77 -54.82 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -85.92 -18.2 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.24 30.23 69.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.426 HG21 ' HD2' ' A' ' 108' ' ' LYS . 91.0 mt -99.42 121.98 53.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.63 21.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 144.91 55.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 86' ' ' THR . 26.8 m -82.85 -45.36 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.494 ' N ' HG23 ' A' ' 85' ' ' VAL . 8.8 t -127.29 167.56 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.2 p -93.79 139.19 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -38.03 -49.76 2.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -49.32 -63.46 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -55.22 -45.23 75.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.3 tpt -48.47 -51.04 29.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.62 -38.75 64.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -59.48 -64.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.51 117.96 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 28.4 pt20 -64.25 -44.7 90.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 19.8 tt0 -131.73 96.32 21.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.0 Cg_endo -69.72 174.58 9.27 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.361 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' LYS . 7.6 t0 -76.21 104.08 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.729 ' O ' HG23 ' A' ' 103' ' ' VAL . 18.8 ttmm -37.86 -40.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' VAL . 4.4 mm? -62.54 -66.83 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -38.07 -38.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.457 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.1 OUTLIER -72.59 -45.76 57.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 99' ' ' LYS . 84.7 t -63.04 -55.75 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 19.0 ptm -47.17 -36.05 8.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -77.27 -58.49 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.421 HD21 ' CE3' ' A' ' 37' ' ' TRP . 47.4 mt -47.06 -46.16 22.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 m -43.42 -48.58 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.426 ' HD2' HG21 ' A' ' 82' ' ' ILE . 41.9 mttt -43.48 -52.05 6.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -63.86 -48.27 77.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.403 ' CE1' ' HD3' ' A' ' 114' ' ' ARG . 11.8 t80 -42.95 -62.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -60.2 -54.65 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -43.81 -63.99 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -59.46 -51.66 68.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.403 ' HD3' ' CE1' ' A' ' 110' ' ' TYR . 22.0 ttt-85 -62.9 98.46 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.58 -46.94 29.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.9 p -48.67 144.21 7.15 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 0.0 111.132 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 116.93 4.78 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -49.21 151.84 1.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -76.31 121.03 84.18 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 144.16 52.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 p -159.74 177.35 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -44.98 108.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.94 103.39 1.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 m -89.17 97.96 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.883 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -153.06 131.34 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.15 -157.95 14.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.49 123.95 49.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.617 HG21 ' CB ' ' A' ' 12' ' ' SER . 37.6 mm -97.13 157.33 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.606 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.5 OUTLIER -86.8 -68.84 0.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.934 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.606 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 54.0 Cg_endo -69.78 -52.33 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.218 . . . . 0.0 112.335 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.617 ' CB ' HG21 ' A' ' 9' ' ' ILE . 19.3 t -48.84 -58.88 4.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -59.32 -51.71 68.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -42.77 -45.98 5.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.05 -49.65 73.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.4 m -47.49 -54.67 10.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -51.29 -56.26 13.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.2 m -52.32 -49.41 64.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -52.43 -50.94 61.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -51.25 -54.28 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -56.93 -40.01 75.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -91.47 30.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -88.03 124.06 33.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 107.04 -45.27 1.33 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' GLY . 19.3 m-85 -34.84 148.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.57 ' O ' HG23 ' A' ' 28' ' ' VAL . 66.1 mt-30 -85.95 146.61 26.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 47.11 29.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 26' ' ' GLN . 44.1 t -124.34 93.84 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -114.25 96.62 5.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.8 t -83.13 105.47 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.8 p -116.31 -33.04 5.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.24 -178.79 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mt -119.37 30.26 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 p -127.48 -52.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.6 p -92.3 -40.3 11.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 52.7 m -50.25 -31.12 13.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.493 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.5 m95 -112.43 35.84 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -86.92 -34.55 19.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 89.5 p -92.09 -47.85 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 133.42 -37.84 1.94 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.538 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.711 HD23 ' OD1' ' A' ' 68' ' ' ASN . 52.5 mt -37.28 -47.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -44.23 -65.47 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.589 HD23 ' HB1' ' A' ' 72' ' ' ALA . 54.9 tp -60.13 -57.51 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.3 m -37.71 -41.13 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.429 ' HB1' ' CZ ' ' A' ' 25' ' ' TYR . . . -59.03 -49.18 78.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.25 -52.33 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.792 ' HB ' HD12 ' A' ' 55' ' ' ILE . 64.0 mt -60.32 -50.65 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -54.71 -44.81 73.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 -42.25 -59.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -73.58 -44.3 57.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HB2' HD12 ' A' ' 54' ' ' LEU . 39.7 mmt180 -131.33 89.41 41.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -11.7 31.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.32 -40.99 42.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 51' ' ' ARG . 47.5 mt -59.84 -45.23 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.792 HD12 ' HB ' ' A' ' 47' ' ' ILE . 73.7 mt -121.27 134.55 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.41 87.25 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -53.03 -48.77 67.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -39.55 -37.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -81.51 -45.38 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.545 HD21 ' CD2' ' A' ' 71' ' ' LEU . 72.4 mt -53.02 119.53 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.667 ' ND2' ' H ' ' A' ' 62' ' ' GLU . 2.9 t-20 -99.3 164.96 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.667 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 29.0 tt0 -69.0 -38.16 79.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.1 13.47 6.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -111.73 30.69 6.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.57 -60.85 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.6 t -41.98 -53.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -60.87 -50.37 73.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.711 ' OD1' HD23 ' A' ' 41' ' ' LEU . 16.6 m-80 -46.0 -60.79 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 39' ' ' SER . 84.0 m-20 -55.42 -66.64 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -39.02 -45.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.545 ' CD2' HD21 ' A' ' 60' ' ' LEU . 50.5 tp -58.0 -62.28 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.589 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -46.63 -52.41 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -54.05 -48.73 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -56.78 -45.7 81.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.56 -42.4 96.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.23 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -93.76 -12.93 28.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -93.41 -33.14 13.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -103.87 -55.03 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -84.93 -21.57 29.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.46 34.27 84.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 92.9 mt -100.17 122.6 49.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 124.68 11.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.21 42.06 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.39 -31.35 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.559 HG21 ' SD ' ' A' ' 91' ' ' MET . 15.2 t -138.29 160.65 38.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.3 p -95.4 155.99 16.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.86 -46.31 55.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -55.03 -50.48 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -69.77 -30.72 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.559 ' SD ' HG21 ' A' ' 86' ' ' THR . 7.1 tpt -68.26 -38.51 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.48 -34.79 47.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.9 p -71.68 -51.68 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.39 109.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.33 -54.21 46.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 31.0 tt0 -130.31 96.84 23.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.0 Cg_endo -69.76 177.95 5.06 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.91 126.87 34.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 103' ' ' VAL . 4.5 mtpm? -55.82 -44.22 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -63.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.0 p -44.97 -29.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -79.19 -44.3 22.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 99' ' ' LYS . 83.1 t -66.6 -50.0 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 26.2 ptm -54.03 -36.95 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -76.55 -66.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.7 mt -42.49 -42.27 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t -43.22 -43.74 4.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -49.11 -51.18 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -66.35 -49.18 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.407 ' CZ ' ' HD2' ' A' ' 114' ' ' ARG . 8.5 t80 -50.23 -59.81 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.03 -59.09 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.6 tp -44.43 -62.2 1.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -55.54 -49.67 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 110' ' ' TYR . 14.9 ttt-85 -44.69 116.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -134.88 -73.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -108.45 140.82 22.13 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.576 0.703 . . . . 0.0 111.126 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 175.84 7.53 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.47 172.45 0.66 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.8 ttm105 -63.26 129.6 93.62 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 178.84 4.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -96.36 121.62 38.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -81.41 110.1 16.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.01 65.67 1.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -143.6 118.99 10.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -115.79 103.08 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.5 -150.44 11.45 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.1 77.62 1.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.505 HG21 ' CB ' ' A' ' 12' ' ' SER . 26.5 mm -107.18 158.82 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.623 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 27.0 mtt180 -88.86 -69.51 0.1 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.4 Cg_endo -69.79 -52.66 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.505 ' CB ' HG21 ' A' ' 9' ' ' ILE . 24.0 t -48.23 -53.99 15.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -65.21 -54.26 32.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.6 tp -42.75 -49.35 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.413 ' CD1' HD21 ' A' ' 33' ' ' LEU . 38.3 tp -52.52 -53.0 51.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.8 m -44.13 -51.69 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -54.67 -60.31 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.5 m -48.87 -55.45 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -45.13 -49.53 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' CB ' ' A' ' 23' ' ' GLU . 12.9 mt-30 -60.32 -53.33 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -46.27 -46.45 17.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.9 p -89.64 28.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 17.0 tt0 -78.58 131.23 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 95.62 -42.11 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 11.9 m-85 -37.03 143.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.931 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.87 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.8 mt-30 -88.38 158.22 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 43.51 25.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 26' ' ' GLN . 91.0 t -127.59 95.43 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -111.16 104.3 12.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.1 t -94.38 117.12 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.5 p -126.69 -31.12 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -128.65 -175.61 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 15' ' ' LEU . 8.2 mt -121.45 33.85 5.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 p -132.22 -56.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 p -84.61 -38.97 19.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.584 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 14.8 m -49.49 -34.53 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.476 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 m95 -109.46 36.46 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 ptt85 -89.52 -30.7 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.661 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 4.9 t -91.9 -49.94 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.82 -37.6 1.92 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.752 HD23 ' OD1' ' A' ' 68' ' ' ASN . 41.1 mt -44.39 -38.52 4.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -46.9 -64.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.0 tp -63.84 -47.11 82.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.5 m -49.57 -36.76 24.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.447 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -61.46 -54.9 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.7 mt -50.11 -43.48 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.59 ' HB ' HD12 ' A' ' 55' ' ' ILE . 34.6 mt -68.41 -63.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 2.6 t-80 -45.15 -48.45 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -60.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -71.58 -51.97 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -124.81 89.43 52.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.41 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.81 -17.97 37.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -64.64 -39.22 93.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.646 HD13 ' OE2' ' A' ' 79' ' ' GLU . 29.0 mt -73.66 -43.71 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.893 ' CG2' HD11 ' A' ' 60' ' ' LEU . 67.4 mt -132.39 135.96 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -120.68 93.67 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 41' ' ' LEU . 11.3 t80 -43.76 -60.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -39.56 -36.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.9 m -82.93 -39.45 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.893 HD11 ' CG2' ' A' ' 55' ' ' ILE . 83.5 mt -56.59 104.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 2.3 t-20 -61.58 108.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.565 ' HA ' HD11 ' A' ' 41' ' ' LEU . 4.8 pt-20 -48.47 -29.94 4.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 10.3 t0 -74.38 -31.71 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -80.01 51.62 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.661 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -49.06 -59.82 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t -39.94 -55.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -59.84 -50.68 72.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.752 ' OD1' HD23 ' A' ' 41' ' ' LEU . 9.9 m-80 -42.24 -54.9 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -57.76 -67.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -40.89 -42.27 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.457 ' CD2' HD21 ' A' ' 60' ' ' LEU . 54.9 tp -57.05 -65.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.53 -42.69 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.06 -51.98 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.79 -47.19 83.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.77 -44.34 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -71.3 -32.09 68.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -82.88 -12.44 57.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -101.8 -39.27 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.646 ' OE2' HD13 ' A' ' 54' ' ' LEU . 36.8 mt-10 -89.59 -55.2 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.462 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 15.2 m-85 -82.62 -25.04 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.31 23.3 68.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.475 HG21 ' HD3' ' A' ' 108' ' ' LYS . 56.0 mt -93.17 121.4 65.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.11 17.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.278 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 134.9 29.11 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.9 m -70.84 -37.71 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.8 t -129.76 161.15 31.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLY . 73.7 p -89.18 136.36 33.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.17 -49.3 0.84 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -54.64 -56.21 21.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.48 -42.8 92.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.4 tpt -46.84 -44.81 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.75 -36.96 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -59.87 -61.24 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.41 109.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -55.6 -42.68 75.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -133.88 96.2 16.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 171.83 13.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -76.32 129.17 36.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 100' ' ' LEU . 15.4 ptpt -68.92 -40.63 78.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 3.7 mm? -61.04 -59.7 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.6 m -50.74 -38.39 47.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.448 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -65.08 -47.52 76.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.8 t -62.84 -59.45 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 19.4 ptm -47.09 -42.1 18.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.419 ' N ' ' HG3' ' A' ' 104' ' ' MET . 61.3 t80 -65.03 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.0 mt -47.17 -45.33 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 m -40.49 -41.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' A' ' 82' ' ' ILE . 15.2 mtpt -50.51 -52.49 38.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -65.9 -50.22 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.455 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 30.4 t80 -41.7 -50.26 4.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.38 -45.6 72.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.1 tp -51.2 -53.01 39.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -73.39 -51.64 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 14.3 ttt-85 -83.35 99.5 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 175.55 -81.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -143.72 140.85 17.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.546 0.689 . . . . 0.0 111.186 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 137.17 34.95 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.704 ' O ' HD12 ' A' ' 118' ' ' LEU . 4.6 pp -100.77 135.18 42.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -142.54 142.7 23.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 124.1 10.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -44.02 123.91 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -88.86 146.63 24.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.33 -171.2 23.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -62.63 110.08 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -68.29 139.45 55.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.38 -112.49 3.5 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -76.79 169.78 17.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 12' ' ' SER . 17.0 mm -115.67 156.06 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.603 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 4.2 mmm180 -84.63 -68.29 0.16 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.2 Cg_endo -69.77 -51.43 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.615 2.21 . . . . 0.0 112.348 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.52 ' HB3' HG21 ' A' ' 9' ' ' ILE . 25.0 t -55.13 -46.4 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -65.17 -46.71 79.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.8 tp -53.91 -48.56 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.5 tp -42.24 -47.42 4.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.9 m -44.5 -56.13 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -48.24 -55.81 9.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.1 m -53.5 -52.73 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -48.28 -47.43 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -57.06 -53.24 60.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -55.55 -38.84 69.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.5 p -92.73 33.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.87 125.36 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 104.18 -42.58 1.86 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 26.8 m-85 -37.26 150.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -95.92 142.71 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 57.6 29.25 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.813 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.43 92.91 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -108.06 96.38 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.3 t -85.57 108.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.8 p -120.83 -27.99 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -131.91 179.78 5.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.457 HD13 HG22 ' A' ' 103' ' ' VAL . 69.9 mt -116.81 25.48 10.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.5 p -130.88 -44.48 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -92.85 -36.52 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.64 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 75.5 m -63.47 -22.39 66.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.459 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.5 m95 -117.86 32.53 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -84.57 -42.84 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 t -84.05 -40.72 18.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 125.65 -33.35 3.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 40' ' ' GLY . 72.0 mt -37.46 -46.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -46.68 -61.27 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.523 HD23 ' HB1' ' A' ' 72' ' ' ALA . 58.9 tp -63.18 -58.52 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.497 ' HB3' HG21 ' A' ' 55' ' ' ILE . 85.7 m -38.2 -31.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -65.95 -51.53 57.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.3 mt -53.94 -42.22 52.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.526 ' HB ' HD12 ' A' ' 55' ' ' ILE . 50.6 mt -71.97 -63.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -42.29 -45.0 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -41.13 -62.08 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -69.67 -47.24 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 -129.38 89.47 47.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.578 0.704 . . . . 0.0 110.816 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -13.78 35.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.73 -39.5 73.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.2 mt -65.44 -46.6 79.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.98 ' CG2' HD11 ' A' ' 60' ' ' LEU . 66.4 mt -124.85 129.52 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -108.74 84.2 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.755 ' HA ' HD12 ' A' ' 60' ' ' LEU . 9.2 t80 -41.14 -47.35 3.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -38.28 -44.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -79.4 -46.02 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.98 HD11 ' CG2' ' A' ' 55' ' ' ILE . 25.5 mt -50.83 105.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' ND2' ' HB3' ' A' ' 63' ' ' ASP . 1.8 t30 -110.05 146.41 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 4.1 tp10 -39.97 -57.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 38.5 t0 -49.38 -33.54 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 73.9 m-20 -84.17 46.04 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.36 -64.49 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.0 t -39.54 -51.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.88 -45.27 86.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.433 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 98.0 m-20 -52.2 -56.7 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -56.69 -61.28 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -43.23 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.517 ' CD2' HD21 ' A' ' 60' ' ' LEU . 54.1 tp -54.99 -66.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -45.87 -48.21 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -58.01 -45.89 86.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.16 -58.19 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.4 t -53.47 -34.17 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -75.49 -36.25 60.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -80.2 -12.82 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -101.03 -48.31 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.55 ' N ' ' CD ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.09 -55.51 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 4.4 m-85 -82.72 -20.84 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.77 35.37 79.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 75.5 mt -108.04 124.21 35.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 126.04 12.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 132.9 24.29 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.88 -28.55 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.523 HG21 ' SD ' ' A' ' 91' ' ' MET . 8.9 t -137.11 160.45 38.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLY . 76.4 p -94.07 139.95 30.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.17 -50.94 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -53.46 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -50.02 -45.79 52.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.523 ' SD ' HG21 ' A' ' 86' ' ' THR . 8.3 tpt -48.87 -44.34 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.74 -37.41 35.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 m -46.88 -65.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.68 108.6 8.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -43.95 -56.99 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 0.7 OUTLIER -107.89 108.92 61.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.905 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.4 Cg_endo -69.69 -168.5 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 99' ' ' LYS . 14.7 m-20 -90.44 100.26 13.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 98' ' ' ASP . 28.3 ttpt -34.74 -41.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -68.04 -56.27 9.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -49.21 -38.14 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.8 mmm -69.08 -50.84 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.457 HG22 HD13 ' A' ' 33' ' ' LEU . 55.0 t -59.31 -53.91 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 4.0 ptt? -52.4 -40.17 61.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.432 ' N ' ' HG3' ' A' ' 104' ' ' MET . 30.8 t80 -68.83 -48.71 62.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.885 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.411 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 53.7 mt -54.07 -43.4 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 p -40.95 -50.56 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -49.18 -49.98 40.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -68.18 -52.2 37.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.525 ' CE2' ' HD3' ' A' ' 114' ' ' ARG . 35.9 t80 -47.13 -54.22 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.14 -44.86 87.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 tp -44.34 -59.08 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.3 -49.59 68.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.525 ' HD3' ' CE2' ' A' ' 110' ' ' TYR . 12.5 ttp85 -42.92 -49.26 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.42 139.29 2.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.5 p -66.86 143.96 98.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.543 0.687 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 177.75 5.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -44.15 147.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -147.75 130.77 8.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -179.55 3.01 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.899 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p -157.94 175.94 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -99.48 -46.83 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.37 124.39 5.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -103.06 -49.13 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -110.76 128.75 55.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.3 -106.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -72.75 128.23 34.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.752 0.311 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.892 HG22 ' HD2' ' A' ' 11' ' ' PRO . 5.5 mt -86.78 148.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.48 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 45.7 mtt180 -34.35 -60.45 0.5 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.892 ' HD2' HG22 ' A' ' 9' ' ' ILE . 53.5 Cg_endo -69.74 -49.23 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' PRO . 18.6 m -34.19 -56.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -43.1 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -45.15 -49.13 12.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.582 HD11 HG12 ' A' ' 30' ' ' VAL . 23.2 tp -51.56 -53.59 36.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.3 m -42.49 -55.86 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -53.2 -56.27 17.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.0 m -51.51 -45.58 62.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -54.93 -53.13 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -53.61 -55.93 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -51.76 -51.57 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.437 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 28.7 p -104.15 45.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -92.32 -18.68 23.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.19 26.16 12.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.437 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 17.6 m-85 -97.93 139.96 32.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' O ' HG23 ' A' ' 28' ' ' VAL . 59.7 mt-30 -76.87 137.94 39.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 60.43 30.02 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 26' ' ' GLN . 92.6 t -128.77 95.97 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -114.15 89.02 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.582 HG12 HD11 ' A' ' 15' ' ' LEU . 78.7 t -72.97 101.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.9 m -109.76 -38.47 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.42 173.58 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 11.6 mt -107.81 32.56 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.6 p -132.28 -57.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.9 p -83.74 -38.45 21.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 18.8 m -59.82 -27.23 66.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.55 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 5.2 m95 -110.87 27.38 9.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -84.14 -37.81 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.491 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 32.2 t -88.8 -45.7 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.91 -32.57 3.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.03 -40.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -52.59 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.08 -54.63 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.406 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 66.9 m -41.33 -40.99 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -58.09 -51.69 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.4 mt -53.24 -53.74 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -55.79 -58.27 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.482 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 5.3 t-80 -47.01 -45.35 21.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -42.6 -64.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -63.81 -50.06 70.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.9 mmt-85 -132.14 90.31 35.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.482 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.75 -8.04 22.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.45 -34.86 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.84 -48.23 55.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.661 ' CG2' HD11 ' A' ' 60' ' ' LEU . 55.2 mt -123.97 139.8 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -118.75 94.89 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.436 ' HA ' HD12 ' A' ' 60' ' ' LEU . 28.9 t80 -48.21 -43.97 32.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.25 -37.15 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.7 t -82.26 -40.48 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.661 HD11 ' CG2' ' A' ' 55' ' ' ILE . 68.1 mt -52.47 118.92 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.2 t30 -102.1 118.41 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -40.48 -49.01 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 13.2 m-20 -59.78 -34.36 72.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' ASN . 29.2 m-20 -82.3 49.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -56.4 -62.0 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ALA . 85.1 t -35.49 -47.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -73.69 -45.83 50.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -49.46 -58.41 5.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' GLN . 81.2 m-20 -56.98 -69.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' ASN . 5.2 mm-40 -36.43 -41.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 75' ' ' VAL . 59.0 tp -60.21 -58.61 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.21 -43.99 67.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.98 -51.43 69.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -59.83 -43.75 94.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 71' ' ' LEU . 81.9 t -61.42 -35.51 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -80.1 -36.06 35.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -78.25 -16.41 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -98.14 -37.21 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -93.22 -55.31 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 14.1 m-85 -82.74 -23.11 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.04 33.91 65.11 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.4 mt -105.6 118.82 54.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 122.98 9.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.484 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 53.6 Cg_endo -69.79 136.8 33.83 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.628 2.219 . . . . 0.0 112.337 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.3 m -69.17 -28.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.463 HG21 ' SD ' ' A' ' 91' ' ' MET . 7.3 t -135.82 160.09 39.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.2 p -96.53 133.71 40.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.21 -47.76 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -48.37 -53.81 16.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -71.7 -46.37 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.463 ' SD ' HG21 ' A' ' 86' ' ' THR . 10.9 tpt -41.29 -43.31 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.27 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -56.5 -59.17 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.28 112.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -51.09 -59.63 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -121.82 96.35 47.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.79 20.54 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.68 132.62 36.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.553 ' HG3' HD22 ' A' ' 100' ' ' LEU . 9.9 ptmm? -68.97 -45.8 69.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.553 HD22 ' HG3' ' A' ' 99' ' ' LYS . 4.3 mm? -51.12 -62.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.2 t -51.11 -34.23 29.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -68.95 -50.31 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 104' ' ' MET . 93.2 t -59.38 -63.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 15.2 ptp -37.47 -38.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.484 ' CE1' ' HA ' ' A' ' 84' ' ' PRO . 71.9 t80 -76.91 -61.04 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.478 HD21 ' CE3' ' A' ' 37' ' ' TRP . 42.6 mt -39.08 -46.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -43.41 -46.74 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -38.47 -50.57 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.0 -51.46 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.418 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 63.9 t80 -40.39 -46.36 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -73.41 -44.38 58.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.4 tp -49.61 -57.46 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -68.59 -47.5 66.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 65.1 ttp85 -60.1 102.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -85.34 -111.72 0.72 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -77.57 140.89 64.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.722 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.19 39.2 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.709 2.272 . . . . 0.0 112.355 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.2 mt -63.19 169.36 3.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -147.26 114.07 4.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 90.42 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -101.85 137.17 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -90.31 113.88 25.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.71 -170.98 30.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 m -88.15 147.96 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.355 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -153.72 106.33 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.78 130.29 2.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.04 171.15 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.343 . . . . 0.0 110.846 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.5 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 24.8 mm -87.23 152.59 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.568 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 23.1 mtt-85 -84.71 -66.97 0.19 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.649 0.737 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 54.3 Cg_endo -69.73 15.31 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.5 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 10.5 t -89.2 -57.48 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -59.26 -41.85 89.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.17 -58.22 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.73 -48.13 15.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.2 m -45.97 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -46.81 -52.55 13.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.1 m -58.08 -44.18 87.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -58.58 -37.1 75.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -68.15 -47.7 67.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -60.69 -49.34 77.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 19.3 p -65.6 -40.64 92.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' THR . 47.0 tt0 -35.73 129.65 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.54 -44.27 1.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -53.13 171.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.82 ' O ' HG23 ' A' ' 28' ' ' VAL . 35.7 mt-30 -108.33 153.79 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 47.14 26.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 26' ' ' GLN . 87.0 t -124.45 95.62 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 12.2 p-10 -112.06 102.95 11.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -90.19 111.11 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.1 p -120.13 -35.5 3.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -125.69 -179.38 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -118.74 25.98 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -130.23 -38.71 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.6 p -99.59 -37.95 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -56.2 -32.82 64.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.455 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.3 m95 -106.96 32.74 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -86.07 -37.41 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.427 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 25.2 t -89.61 -41.27 12.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 127.88 -36.93 2.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.865 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 70.0 mt -35.29 -52.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.46 -61.06 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.46 -59.7 4.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.3 m -42.48 -35.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.1 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.38 -55.34 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.583 ' HB ' HD12 ' A' ' 55' ' ' ILE . 21.8 mt -64.08 -56.57 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -43.48 -35.69 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.6 tpt85 -63.76 -64.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -62.29 -55.11 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -125.14 89.47 52.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -23.63 30.29 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.22 -32.82 72.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 55.0 mt -76.46 -48.08 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.583 HD12 ' HB ' ' A' ' 47' ' ' ILE . 63.5 mt -123.58 125.4 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 87.35 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.865 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 22.1 t80 -37.79 -42.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -35.96 -44.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -78.87 -43.53 24.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 57' ' ' PHE . 58.4 mt -51.27 101.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.8 t30 -94.52 139.25 31.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.506 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 21.5 mt-10 -38.65 -58.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.28 -24.78 67.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.5 m-20 -78.92 44.79 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -62.57 -56.68 15.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.8 t -47.93 -47.39 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.07 -46.94 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 48.4 m-20 -57.79 -58.87 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -49.84 -59.5 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.43 -44.77 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.61 -67.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.49 -37.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' HD1' ' HH ' ' A' ' 105' ' ' TYR . 23.8 m-85 -71.8 -54.02 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -51.04 -45.41 61.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.17 -34.71 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -65.61 -33.85 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -90.18 -12.18 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -94.31 -35.82 12.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.26 -55.05 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 5.2 m-85 -84.75 -23.35 29.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 69.07 34.72 76.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 87.6 mt -102.66 126.05 34.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 133.68 26.07 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 156.18 64.23 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.688 2.259 . . . . 0.0 112.393 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.5 m -98.51 -32.88 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.428 HG21 ' SD ' ' A' ' 91' ' ' MET . 8.0 t -135.33 162.01 33.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.6 p -92.35 136.58 33.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -38.35 -48.3 2.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -52.91 -58.57 6.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -59.11 -43.05 91.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.428 ' SD ' HG21 ' A' ' 86' ' ' THR . 8.1 tpt -46.75 -44.74 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.65 -37.68 24.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -61.19 -62.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.13 114.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -62.2 -45.16 94.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -128.03 96.4 31.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.7 6.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.315 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.87 107.55 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.623 ' HD2' HD22 ' A' ' 100' ' ' LEU . 12.2 tmtt? -48.45 -54.45 14.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.623 HD22 ' HD2' ' A' ' 99' ' ' LYS . 4.3 mm? -52.79 -58.08 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.7 m -48.69 -33.77 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 36.4 mmm -74.62 -49.35 21.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.03 -39.96 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 22.9 ptm -70.77 -44.28 67.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.538 ' HH ' ' HD1' ' A' ' 73' ' ' PHE . 92.7 t80 -62.04 -44.61 96.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.04 -45.82 91.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.7 t -39.94 -42.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -51.12 -49.06 61.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -71.95 -44.29 63.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.466 ' CE1' ' HD2' ' A' ' 114' ' ' ARG . 24.5 t80 -52.54 -57.51 9.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -60.43 -56.43 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 tp -46.78 -53.76 11.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -62.88 -51.4 67.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.466 ' HD2' ' CE1' ' A' ' 110' ' ' TYR . 12.0 ttt85 -50.75 -62.42 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 176.81 -115.58 0.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.551 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -97.7 140.88 22.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.71 . . . . 0.0 111.124 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 167.12 25.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.5 mt -89.43 149.38 22.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -56.39 147.06 50.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.567 0.699 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 104.04 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.5 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 p -129.75 127.5 40.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 m -57.94 -52.13 66.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.81 83.14 0.31 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -156.52 169.75 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.822 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 m -118.02 102.36 8.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.76 -130.66 6.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -86.74 162.57 17.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 12' ' ' SER . 82.7 mt -51.31 118.34 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 10.2 mtp85 -71.73 -59.26 3.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.571 0.7 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.7 Cg_endo -69.77 4.95 1.89 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.599 ' N ' HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -45.32 -64.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -57.3 -47.94 80.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -47.45 -56.98 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.4 tp -48.59 -64.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.5 m -39.22 -58.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -45.8 -56.63 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.1 m -56.4 -49.48 74.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -50.2 -52.61 34.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -56.47 -58.22 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' O ' ' NH2' ' A' ' 49' ' ' ARG . 95.4 mm-40 -53.12 -36.24 60.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.418 ' CG2' HG13 ' A' ' 46' ' ' ILE . 42.2 p -110.15 40.65 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.37 -20.46 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.34 -28.55 30.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.958 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 13.3 m-85 -53.37 164.2 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -99.27 138.94 35.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 59.73 33.78 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 25' ' ' TYR . 96.9 t -121.33 96.95 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -108.97 87.56 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.57 112.18 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -122.09 -32.59 3.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.44 179.98 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 11' ' ' PRO . 6.7 mt -117.25 33.42 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -132.79 -60.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -86.01 -36.95 19.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.2 m -56.16 -32.76 64.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.479 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 3.3 m95 -108.56 30.13 6.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -82.52 -37.82 24.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.573 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 97.6 p -80.21 -46.75 15.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.496 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 126.32 -43.95 1.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' GLY . 73.1 mt -35.21 -41.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.02 -68.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.6 -51.82 68.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -41.52 -34.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.958 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -66.03 -59.8 3.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.418 HG13 ' CG2' ' A' ' 22' ' ' THR . 90.2 mt -42.82 -56.67 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.524 ' HB ' HD12 ' A' ' 55' ' ' ILE . 59.8 mt -55.91 -63.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 4.5 t-80 -38.65 -46.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 21' ' ' GLN . 7.9 tpp85 -40.15 -59.94 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.724 ' CD1' ' CE1' ' A' ' 113' ' ' PHE . 82.9 m-85 -71.59 -49.1 43.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.5 mpt_? -126.51 89.4 52.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.503 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.75 -13.47 34.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -76.66 -39.19 52.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 51' ' ' ARG . 25.5 mt -63.93 -40.91 97.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.524 HD12 ' HB ' ' A' ' 47' ' ' ILE . 75.6 mt -131.3 139.0 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.57 80.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.736 ' HA ' HD12 ' A' ' 60' ' ' LEU . 3.7 t80 -41.83 -63.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -39.15 -38.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 t -77.36 -37.38 52.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 57' ' ' PHE . 74.6 mt -53.27 102.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -62.69 120.42 11.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 6.0 pt-20 -46.96 -35.14 6.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 4.7 t70 -77.55 -34.97 53.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.58 49.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -56.83 -53.05 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.481 HG13 ' CA ' ' A' ' 89' ' ' LYS . 92.4 t -45.58 -57.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.53 -50.91 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -52.07 -45.9 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.496 ' OD1' ' CA ' ' A' ' 40' ' ' GLY . 77.4 m-20 -58.36 -62.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -42.08 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 tp -54.27 -63.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.62 -45.39 57.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.07 -42.6 98.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.27 -57.17 11.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.9 t -50.32 -50.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.426 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -53.44 -32.98 52.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.044 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -87.31 -12.44 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -93.07 -32.0 14.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.62 -54.2 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 8.1 m-85 -85.06 -22.91 28.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.51 34.05 67.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.0 mt -101.0 117.44 62.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.08 22.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.56 45.53 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -80.56 -29.96 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.9 t -137.88 160.31 39.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 20.3 p -89.36 133.88 34.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.37 -57.08 1.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.481 ' CA ' HG13 ' A' ' 66' ' ' VAL . 7.0 ttmt -45.65 -54.87 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.704 0.288 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -61.1 -38.32 85.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.0 tpt -51.79 -38.4 55.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.32 -36.64 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m -60.62 -66.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.5 121.31 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 16.1 pt20 -62.65 -47.1 85.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 7.4 tt0 -134.98 103.89 10.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.687 0.755 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.5 Cg_endo -69.79 -179.91 3.25 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 99' ' ' LYS . 1.7 m-20 -81.94 102.28 10.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.47 ' O ' HG23 ' A' ' 103' ' ' VAL . 11.5 tmtt? -34.52 -45.65 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.97 -67.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -39.03 -39.06 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.1 mmm -70.57 -57.88 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 99' ' ' LYS . 75.8 t -53.64 -56.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 15.6 ptp -46.71 -32.15 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -82.57 -45.44 14.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.81 -52.33 65.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.7 p -39.14 -50.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -38.4 -46.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -73.3 -48.89 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -40.55 -59.91 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -60.54 -49.36 77.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.2 tp -46.3 -57.24 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.724 ' CE1' ' CD1' ' A' ' 50' ' ' PHE . 35.9 m-85 -67.66 -52.04 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 113' ' ' PHE . 20.5 tpt180 -34.5 -50.4 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 147.07 77.95 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -48.65 140.88 10.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 111.139 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 171.9 13.62 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.36 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.07 149.56 46.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -44.76 154.44 0.43 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 151.27 68.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -112.96 -50.62 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 m -130.64 122.2 26.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.77 -78.46 0.52 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.455 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t -44.39 -52.78 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -42.42 112.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.76 161.9 32.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -125.36 169.71 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.319 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.727 HG21 ' CB ' ' A' ' 12' ' ' SER . 60.5 mt -80.2 149.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.589 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 31.3 mtt180 -82.05 -67.5 0.21 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.6 Cg_endo -69.78 -58.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.727 ' CB ' HG21 ' A' ' 9' ' ' ILE . 11.8 t -39.46 -55.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -59.47 -50.92 72.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.3 tp -46.78 -49.58 19.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -53.86 -47.95 70.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.3 m -55.62 -60.82 2.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.434 ' CZ3' ' HA ' ' A' ' 110' ' ' TYR . 89.9 t90 -50.85 -40.89 57.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.97 -43.98 90.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.71 -44.24 90.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -59.87 -60.15 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -46.88 -54.74 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -63.83 -35.62 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -40.02 141.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.34 -41.96 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 14.8 m-85 -52.85 161.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 28' ' ' VAL . 12.9 pt20 -97.01 145.39 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 51.05 35.76 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 26' ' ' GLN . 56.4 t -127.2 96.8 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -111.36 104.42 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -95.82 110.27 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.5 p -119.98 -36.32 3.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -122.02 -176.81 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 mt -117.59 14.45 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -118.23 -40.56 2.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.1 p -99.53 -37.99 8.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -51.45 -32.18 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.43 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 2.9 m95 -108.72 31.38 5.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -86.13 -37.91 18.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.5 t -82.9 -47.7 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 129.66 -41.74 1.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.771 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 77.7 mt -34.36 -43.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.91 -60.89 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.637 HD23 ' HB1' ' A' ' 72' ' ' ALA . 49.8 tp -62.06 -60.49 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 94.4 m -42.39 -45.14 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -51.79 -49.54 62.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -57.64 -47.04 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.563 ' HB ' HD12 ' A' ' 55' ' ' ILE . 55.9 mt -64.09 -62.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -45.33 -44.1 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -40.31 -62.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -73.35 -48.25 35.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -122.94 89.48 50.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -19.45 35.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.232 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.14 -42.61 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.5 mt -59.02 -48.55 81.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.563 HD12 ' HB ' ' A' ' 47' ' ' ILE . 79.9 mt -125.73 139.73 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 59' ' ' SER . 5.4 t30 -118.34 95.44 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.771 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 17.9 t80 -45.37 -52.57 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -38.3 -29.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.463 ' HB2' ' ND2' ' A' ' 56' ' ' ASN . 29.1 t -85.52 -45.98 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.596 HD21 HD23 ' A' ' 71' ' ' LEU . 30.5 mt -50.45 118.06 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -106.61 119.3 38.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' ASN . 17.4 tt0 -37.44 -50.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -37.26 79.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 61' ' ' ASN . 12.9 m-20 -79.7 49.38 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' VAL . . . -52.33 -61.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' ALA . 98.9 t -37.39 -59.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -57.91 -51.42 69.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -44.52 -56.74 4.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.456 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 73.3 m-80 -58.4 -60.09 4.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -41.31 -42.87 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.596 HD23 HD21 ' A' ' 60' ' ' LEU . 59.2 tp -57.73 -61.82 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.637 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -49.18 -46.29 45.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.091 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 23.7 m-85 -61.51 -47.51 85.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -58.96 -46.91 86.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.8 t -63.08 -35.73 72.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -65.29 -36.17 83.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -92.49 -12.02 33.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -92.61 -34.89 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.86 -55.02 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.588 ' CD1' HD21 ' A' ' 112' ' ' LEU . 19.7 m-85 -86.23 -24.38 26.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 73.45 32.51 59.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.4 mt -96.64 123.09 55.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.429 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 54.0 Cg_endo -69.76 132.17 22.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 105' ' ' TYR . 27.1 m -65.13 -35.5 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.3 t -137.9 158.05 45.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 88' ' ' GLY . 28.0 p -95.48 143.07 27.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.9 -46.14 0.61 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -57.93 -64.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.73 0.3 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -53.33 -35.26 60.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -55.67 -58.25 8.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.55 87.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 t -59.95 -59.63 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.1 112.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -57.36 -57.49 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -122.81 97.87 43.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 165.69 30.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -75.1 143.15 43.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.703 ' O ' HG23 ' A' ' 103' ' ' VAL . 11.1 ptpp? -83.5 -38.57 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -49.17 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -62.78 -41.82 99.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.3 mmt -63.81 -47.63 80.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 99' ' ' LYS . 93.0 t -63.31 -58.14 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -51.72 -39.35 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.433 ' CD1' HG13 ' A' ' 85' ' ' VAL . 87.2 t80 -71.05 -50.59 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.425 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 38.0 mt -57.07 -44.55 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -40.94 -46.66 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -43.66 -53.04 6.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -66.7 -52.05 49.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.434 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 4.5 t80 -44.36 -57.39 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -64.74 -48.55 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 80' ' ' PHE . 59.1 tp -45.76 -48.43 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -77.12 -45.28 27.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -41.33 -46.67 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 141.95 100.75 0.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.9 p -85.28 141.61 37.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 0.0 111.123 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 172.94 11.78 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.3 mt -90.06 125.49 35.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.447 ' CG ' ' HD2' ' A' ' 120' ' ' PRO . 42.9 ttp85 -74.56 138.7 74.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 119' ' ' ARG . 53.7 Cg_endo -69.76 107.11 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 2.241 . . . . 0.0 112.294 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.871 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -104.22 112.17 25.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p -76.22 157.95 32.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.75 -50.55 0.89 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -129.85 134.12 47.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 m -106.47 -176.38 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.54 -50.41 0.84 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -127.4 28.13 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.593 HG22 ' N ' ' A' ' 10' ' ' ARG . 6.0 mm -107.6 166.91 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.644 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 7.5 mmm180 -95.05 -70.38 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.644 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 54.0 Cg_endo -69.78 -53.85 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.495 ' HB2' HG21 ' A' ' 9' ' ' ILE . 12.4 m -38.91 -47.59 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -58.49 -56.6 19.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 tp -48.12 -46.22 33.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.8 tp -49.48 -45.91 47.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -53.11 -55.21 25.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -49.88 -52.46 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.9 m -58.33 -50.07 74.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -56.98 -34.01 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -67.34 -51.44 52.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -57.46 -51.17 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.1 p -65.13 -35.31 80.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -38.44 126.14 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.82 -39.61 2.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -53.9 169.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.74 ' O ' HG23 ' A' ' 28' ' ' VAL . 34.0 mt-30 -102.1 149.13 24.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.4 m170 45.23 34.4 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 26' ' ' GLN . 73.3 t -125.8 97.9 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -116.34 107.85 15.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.8 t -98.88 110.98 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.7 p -122.29 -37.65 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.34 140.24 52.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mt -83.78 37.81 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.1 p -134.82 -46.95 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 p -101.64 -21.86 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.552 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 28.0 p -67.45 -14.89 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CD1' ' OG ' ' A' ' 36' ' ' SER . 16.0 m95 -115.34 5.72 14.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -65.34 -40.84 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -76.99 -39.97 48.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.92 -39.72 2.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -38.63 -40.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -49.26 -61.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.473 HD23 ' HB1' ' A' ' 72' ' ' ALA . 34.9 tp -62.64 -48.72 78.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.405 ' HB3' HG21 ' A' ' 55' ' ' ILE . 61.3 m -50.01 -40.65 45.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.94 -47.05 87.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.7 mt -59.88 -48.28 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.29 -62.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 2.2 t-80 -47.2 -44.59 22.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -41.02 -63.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -69.47 -45.84 68.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -128.39 89.49 49.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 54.5 Cg_endo -69.75 -8.13 22.82 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -76.5 -40.28 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 62.3 mt -63.2 -46.56 86.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.697 ' CG2' HD11 ' A' ' 60' ' ' LEU . 78.2 mt -127.18 143.52 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -118.61 93.33 4.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.619 ' HA ' HD12 ' A' ' 60' ' ' LEU . 10.4 t80 -47.33 -57.91 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.04 -31.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -86.0 -40.61 15.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.697 HD11 ' CG2' ' A' ' 55' ' ' ILE . 61.0 mt -53.33 114.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 1.3 t30 -95.77 121.26 37.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 63' ' ' ASP . 2.2 pm0 -46.19 -47.32 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 1.5 m-20 -58.78 -27.94 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -90.65 43.77 1.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.48 -51.44 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.2 t -45.13 -54.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -64.94 -49.65 69.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 88.7 m-20 -47.04 -52.16 15.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -60.89 -62.09 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.03 -48.13 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.496 HD23 HD21 ' A' ' 60' ' ' LEU . 51.3 tp -53.0 -63.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.473 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -46.29 -50.5 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -54.39 -52.06 62.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.26 -54.17 48.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.8 t -50.53 -37.33 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.79 81.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -92.11 -12.17 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -93.35 -34.75 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -102.21 -55.28 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -85.12 -24.02 28.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.32 23.13 74.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 90.5 mt -87.42 124.94 67.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.33 15.84 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 157.15 61.43 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.2 m -99.32 -34.16 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.8 t -136.61 167.24 21.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 22.2 p -103.79 139.19 39.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.0 -49.3 1.47 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -56.53 -61.04 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -54.16 -32.35 55.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -51.07 50.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.89 -6.72 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -94.32 -49.03 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.6 116.87 10.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -64.29 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 9.5 tt0 -136.6 104.93 9.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.634 0.731 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.5 Cg_endo -69.76 175.9 7.49 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 99' ' ' LYS . 9.0 t0 -78.56 104.36 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.468 ' O ' HG23 ' A' ' 103' ' ' VAL . 38.1 mtmt -34.37 -41.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.484 ' C ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -67.21 -65.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LEU . 38.8 t -36.96 -45.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.444 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -62.1 -56.41 19.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 99' ' ' LYS . 76.6 t -54.63 -62.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.422 ' HE3' ' HG ' ' A' ' 100' ' ' LEU . 17.4 ptp -41.47 -28.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -82.05 -56.75 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.506 HD22 ' CH2' ' A' ' 37' ' ' TRP . 20.5 mt -52.95 -44.36 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -39.83 -50.32 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -50.5 -47.24 57.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -68.52 -56.26 8.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -41.73 -56.04 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -67.98 -46.17 72.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.8 tp -46.0 -55.63 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -80.38 -50.28 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.64 118.19 25.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.03 68.78 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.577 HG22 ' HD2' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -43.43 138.01 2.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.544 0.688 . . . . 0.0 111.168 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.577 ' HD2' HG22 ' A' ' 116' ' ' THR . 53.8 Cg_endo -69.78 -175.32 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.71 ' H ' HD12 ' A' ' 118' ' ' LEU . 6.3 mp -39.45 124.4 1.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 120' ' ' PRO . 33.9 ttm-85 -119.89 94.13 48.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 119' ' ' ARG . 53.9 Cg_endo -69.7 87.53 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.877 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 m -89.08 42.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -100.23 127.17 46.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.14 134.94 8.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 t -104.74 41.45 1.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 m -144.23 128.82 18.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.24 121.49 4.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.56 148.43 38.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.319 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.65 HG21 ' CB ' ' A' ' 12' ' ' SER . 25.9 mm -95.6 156.49 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.61 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 25.4 mtt180 -87.65 -69.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 54.3 Cg_endo -69.65 -54.03 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.65 ' CB ' HG21 ' A' ' 9' ' ' ILE . 28.5 t -43.05 -53.9 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -52.81 -51.44 60.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -49.44 -52.69 27.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD21 ' O ' ' A' ' 31' ' ' THR . 45.3 tp -53.59 -42.44 67.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -59.8 -49.5 77.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.196 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -58.44 -44.28 89.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.7 m -65.83 -47.71 74.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -51.88 -40.96 61.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -63.28 -53.54 51.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -58.69 -47.86 83.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.439 HG21 HG21 ' A' ' 30' ' ' VAL . 8.1 p -67.82 -31.74 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.148 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -44.41 136.26 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.95 -41.38 2.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -57.34 155.05 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.9 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.404 ' O ' HG23 ' A' ' 28' ' ' VAL . 10.5 mm100 -94.55 143.94 26.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 57.01 32.92 22.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 26' ' ' GLN . 79.6 t -128.87 96.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -110.68 105.72 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.439 HG21 HG21 ' A' ' 22' ' ' THR . 98.7 t -101.81 104.59 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.455 ' O ' HD21 ' A' ' 15' ' ' LEU . 35.5 p -118.69 -35.54 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -121.77 178.94 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 9.6 mt -118.46 34.03 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.98 -54.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.9 p -86.85 -39.36 15.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -56.05 -28.43 57.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.495 ' CZ3' HD22 ' A' ' 106' ' ' LEU . 4.6 m95 -110.08 27.59 9.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -82.5 -37.02 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.441 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 12.9 t -86.9 -45.65 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 128.63 -37.02 2.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' GLY . 54.3 mt -36.12 -51.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.35 -65.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.37 -56.68 18.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.1 m -40.25 -42.11 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.17 86.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.86 -49.22 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.521 ' HB ' HD12 ' A' ' 55' ' ' ILE . 66.5 mt -64.22 -62.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.45 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 5.0 t-80 -41.16 -46.39 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.0 tpt85 -40.73 -63.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.425 ' C ' ' HD2' ' A' ' 51' ' ' ARG . 93.0 m-85 -63.4 -52.33 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HD2' ' C ' ' A' ' 50' ' ' PHE . 7.3 mpt_? -130.39 92.32 35.79 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.75 -8.09 22.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.31 -40.32 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 mt -66.19 -57.97 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.846 ' CG2' HD11 ' A' ' 60' ' ' LEU . 67.3 mt -113.35 137.81 45.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -117.46 84.18 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.588 ' HA ' HD12 ' A' ' 60' ' ' LEU . 6.6 t80 -42.0 -52.57 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 57' ' ' PHE . 6.6 m-20 -37.5 -41.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.6 t -80.99 -44.78 17.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.846 HD11 ' CG2' ' A' ' 55' ' ' ILE . 51.2 mt -50.84 117.41 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.9 t30 -111.1 141.88 44.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.498 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 12.2 mt-10 -42.42 -55.44 3.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.65 -32.75 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 4.2 m-20 -86.21 42.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -62.0 -49.52 75.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.73 -50.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -65.76 -48.33 72.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 90.5 m-20 -48.89 -58.29 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -51.79 -61.06 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -44.86 -47.93 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.8 tp -53.78 -64.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.21 -48.43 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -59.1 -50.13 75.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -58.17 -56.16 25.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -50.71 -40.63 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -69.07 -31.61 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -83.26 -13.65 54.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -99.42 -33.74 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.16 -55.14 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -84.4 -21.35 30.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 69.35 33.76 73.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.717 HD12 ' CE1' ' A' ' 109' ' ' PHE . 62.5 mt -102.2 116.87 62.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.4 11.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.318 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.546 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 53.2 Cg_endo -69.81 138.38 37.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.295 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.16 -27.56 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.483 HG21 ' SD ' ' A' ' 91' ' ' MET . 9.0 t -135.63 153.78 51.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLY . 73.0 p -95.68 139.69 31.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.73 -51.01 0.78 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -48.29 -59.15 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.25 -48.19 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.483 ' SD ' HG21 ' A' ' 86' ' ' THR . 10.8 tpt -48.18 -42.04 28.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.11 -38.68 24.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -60.52 -60.32 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.34 114.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -55.64 -51.88 65.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 18.1 tt0 -132.28 99.81 15.84 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.9 Cg_endo -69.71 179.61 3.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.06 126.34 35.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.778 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -60.41 -30.37 69.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.58 HD22 ' HG2' ' A' ' 99' ' ' LYS . 3.4 mm? -67.49 -56.73 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.1 p -53.95 -38.08 64.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 51.5 mmm -70.58 -54.15 13.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 99' ' ' LYS . 95.0 t -55.84 -50.98 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 19.7 ptm -54.61 -37.86 66.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.546 ' CE1' ' HA ' ' A' ' 84' ' ' PRO . 60.6 t80 -73.66 -64.69 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.495 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 9.1 mt -46.75 -44.56 19.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.1 m -44.49 -46.0 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -47.28 -40.25 16.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.717 ' CE1' HD12 ' A' ' 82' ' ' ILE . 46.3 m-85 -77.13 -49.42 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -43.03 -53.38 4.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.67 -52.48 30.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.427 ' CD1' ' HB3' ' A' ' 117' ' ' PRO . 22.2 tp -43.93 -48.73 8.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -72.49 -50.71 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -44.13 -45.62 8.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -136.11 -145.13 5.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 p -90.93 154.68 45.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.0 111.145 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.427 ' HB3' ' CD1' ' A' ' 112' ' ' LEU . 54.0 Cg_endo -69.75 118.13 5.5 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.566 ' H ' HD12 ' A' ' 118' ' ' LEU . 5.7 mp -60.37 130.09 44.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -109.19 113.65 58.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.87 49.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 m -58.64 168.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -119.82 121.32 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.23 95.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -90.47 85.43 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 m -104.76 81.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.07 -68.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -44.28 166.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.453 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 50.9 mm -94.55 153.3 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.621 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 20.4 mtt180 -95.3 -69.56 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.621 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.7 Cg_endo -69.75 16.94 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 10' ' ' ARG . 3.8 p -75.21 -42.35 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -77.45 -43.17 33.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 tp -53.39 -51.44 62.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 tp -47.52 -47.55 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.6 m -52.58 -49.7 64.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -55.46 -57.23 12.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.9 m -55.87 -40.03 72.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -63.47 -43.85 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -60.4 -48.35 82.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.18 -49.55 75.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.542 HG21 HG21 ' A' ' 30' ' ' VAL . 25.4 p -67.35 -26.86 66.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -48.19 144.6 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.04 -41.26 2.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.96 162.33 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.956 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' ' 28' ' ' VAL . 36.2 mt-30 -97.9 154.84 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 43.5 27.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 26' ' ' GLN . 53.8 t -123.34 93.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -110.83 109.38 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.542 HG21 HG21 ' A' ' 22' ' ' THR . 91.9 t -103.53 100.68 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.3 p -112.1 -34.75 5.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -125.04 179.64 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.549 HD13 HG22 ' A' ' 103' ' ' VAL . 40.6 mt -116.14 25.25 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 p -124.61 -62.05 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.3 p -81.61 -43.33 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -48.98 -37.91 21.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 5.2 m95 -102.26 31.82 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -87.2 -36.94 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -79.9 -40.15 28.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.23 21.26 10.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 62' ' ' GLU . 70.5 mt -94.75 -40.01 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.8 -51.17 66.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.526 HD23 ' CB ' ' A' ' 72' ' ' ALA . 63.4 tp -60.19 -50.63 72.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.4 m -51.31 -41.71 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.68 83.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.53 -51.5 71.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.747 ' HB ' HD12 ' A' ' 55' ' ' ILE . 16.5 mt -65.19 -55.62 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -49.62 -49.46 46.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -40.08 -56.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -73.02 -48.61 34.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -127.35 89.82 50.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.77 29.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -75.25 -36.98 61.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.35 -43.6 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.747 HD12 ' HB ' ' A' ' 47' ' ' ILE . 76.1 mt -128.0 135.19 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -117.55 93.22 4.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LEU . 34.5 t80 -44.48 -55.66 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PHE . 11.8 m-20 -36.01 -37.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -81.27 -41.8 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.496 HD21 HD23 ' A' ' 71' ' ' LEU . 64.9 mt -52.46 119.86 4.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.2 t30 -105.94 118.93 37.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HA ' HD11 ' A' ' 41' ' ' LEU . 29.9 tt0 -41.16 -48.77 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -33.67 71.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' ASN . 46.3 m-20 -84.99 46.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.58 -60.92 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.062 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.548 HG11 ' HE3' ' A' ' 89' ' ' LYS . 98.1 t -39.91 -46.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.46 -44.53 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -56.61 -59.28 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -52.78 -61.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.85 -45.63 7.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.496 HD23 HD21 ' A' ' 60' ' ' LEU . 64.5 tp -54.71 -68.92 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.526 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -39.66 -44.89 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -63.05 -53.62 50.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -55.15 -44.46 75.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.56 -41.32 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -71.75 -31.71 66.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -83.45 -13.05 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -101.55 -34.92 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -93.76 -55.01 3.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.458 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 10.9 m-85 -83.55 -22.0 32.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.73 31.78 60.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.8 mt -103.49 122.32 45.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 128.79 16.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 144.62 54.44 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.2 m -85.28 -30.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.5 t -136.77 154.95 50.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.0 p -95.94 138.64 33.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.9 -48.54 1.38 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.548 ' HE3' HG11 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -46.22 -53.3 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.9 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.26 -41.42 66.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.1 tpt -50.79 -39.11 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.34 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 m -61.78 -59.07 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.17 125.34 15.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -68.3 -56.44 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 36.4 tt0 -124.24 97.24 40.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.657 0.741 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.5 Cg_endo -69.8 173.18 11.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.254 . . . . 0.0 112.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.35 124.34 27.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.684 ' HG3' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -65.97 -26.37 67.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.684 HD22 ' HG3' ' A' ' 99' ' ' LYS . 3.2 mm? -72.14 -55.34 7.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.4 t -57.28 -29.93 64.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 47.1 mmm -79.07 -53.05 7.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 99' ' ' LYS . 54.8 t -57.63 -40.49 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.431 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 3.6 ptt? -66.39 -41.16 89.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.431 ' N ' ' HG3' ' A' ' 104' ' ' MET . 56.8 t80 -67.44 -53.77 26.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 71.5 mt -50.53 -47.12 57.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.3 m -44.12 -34.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -49.0 -50.01 38.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -77.81 -50.51 12.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -39.45 -49.21 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.1 -54.11 16.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.3 tp -45.39 -50.66 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -76.2 -52.1 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.53 HH11 ' N ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -90.77 102.35 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.53 ' N ' HH11 ' A' ' 114' ' ' ARG . . . 155.32 -83.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -44.9 140.86 3.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 153.91 68.55 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.734 2.29 . . . . 0.0 112.358 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.721 HD23 ' H ' ' A' ' 118' ' ' LEU . 0.9 OUTLIER -86.16 138.82 31.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -94.59 148.17 34.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.77 15.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -163.14 164.63 25.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.856 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 t -57.99 94.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.27 -163.18 17.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' SER . 32.1 t -129.78 -62.04 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 5' ' ' SER . 54.5 p -34.47 137.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.5 -168.5 40.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.583 ' C ' HD13 ' A' ' 9' ' ' ILE . 29.0 m-20 -112.74 -175.11 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.311 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.583 HD13 ' C ' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -114.38 166.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.549 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 18.1 mmt-85 -78.26 -65.83 0.32 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.825 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.7 Cg_endo -69.71 2.36 3.57 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.491 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 25.7 t -96.64 -36.5 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -93.31 -26.22 17.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' HG13 ' A' ' 103' ' ' VAL . 29.2 tp -66.63 -40.77 88.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.4 tp -52.91 -54.15 38.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.5 m -45.54 -60.07 2.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -42.84 -57.63 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 70.7 m -52.07 -57.4 9.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -47.65 -43.24 26.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.74 -53.26 57.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -53.86 -44.53 70.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.1 p -83.85 21.3 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -82.55 129.96 35.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.66 -45.44 1.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -48.46 148.29 2.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 28' ' ' VAL . 10.5 mt-30 -94.91 151.55 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 58.35 25.48 12.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 26' ' ' GLN . 85.5 t -127.9 99.15 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -115.22 103.85 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.56 107.76 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.6 p -118.99 -25.47 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -132.98 -175.1 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.553 HD13 HG22 ' A' ' 103' ' ' VAL . 10.6 mt -120.6 29.98 7.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -127.43 -70.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -82.0 -29.49 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 30.2 m -58.81 -15.38 12.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 6.1 m95 -124.54 29.72 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -89.78 -35.47 15.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.2 t -76.37 -36.22 58.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.39 -20.75 32.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.657 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 38.3 mt -62.98 -14.76 51.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -73.55 -59.9 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.4 tp -69.95 -44.51 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 72' ' ' ALA . 74.4 m -53.71 -30.97 46.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.5 -48.13 67.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.53 HG22 ' CE2' ' A' ' 113' ' ' PHE . 65.9 mt -58.59 -39.46 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.8 mt -72.85 -51.87 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -67.53 -15.57 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -75.93 -56.64 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.709 ' CE1' ' CG ' ' A' ' 51' ' ' ARG . 1.2 p90 -79.87 -38.88 31.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.709 ' CG ' ' CE1' ' A' ' 50' ' ' PHE . 7.2 mmp_? -135.0 89.56 23.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -23.81 30.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.98 -27.82 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.706 HD22 ' HG3' ' A' ' 79' ' ' GLU . 18.2 mt -82.74 -47.54 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' ' 72' ' ' ALA . 4.8 mt -130.92 149.2 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.92 100.87 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.657 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 7.6 t80 -48.42 -41.98 30.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -43.93 -45.39 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.4 m -79.76 -21.61 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 57' ' ' PHE . 81.4 mt -71.91 118.08 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.3 t30 -102.8 120.82 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -43.99 -48.37 8.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -59.52 -30.17 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ASN . 6.3 m-20 -85.52 59.37 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.813 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.66 80.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -52.25 -53.13 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -67.28 -45.44 76.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -50.69 -58.1 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.475 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 74.0 m-80 -55.01 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -40.28 -47.65 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.541 HD23 HD21 ' A' ' 60' ' ' LEU . 57.4 tp -53.5 -68.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -41.96 -50.16 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 14.8 m-30 -57.45 -48.57 78.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -58.8 -44.82 90.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.9 t -58.03 -37.44 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' PHE . . . -65.59 -59.66 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -65.2 -14.4 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.8 ttt85 -89.83 -37.51 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.706 ' HG3' HD22 ' A' ' 54' ' ' LEU . 27.0 mm-40 -105.23 -53.64 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.568 ' CD1' HD21 ' A' ' 112' ' ' LEU . 6.1 m-85 -82.58 -15.49 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 70.23 4.17 49.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.452 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.869 HD13 ' HB3' ' A' ' 108' ' ' LYS . 53.9 mt -74.07 120.89 83.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 111.127 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.24 35.02 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.27 69.17 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.356 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.594 HG13 ' CD1' ' A' ' 105' ' ' TYR . 21.9 m -98.25 -29.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -138.28 154.84 49.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 80.8 p -89.25 132.77 34.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.46 -47.74 1.61 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -55.23 -61.32 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.713 0.292 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.32 -42.39 73.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -47.51 -56.76 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.75 61.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -57.92 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.33 107.89 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -51.97 -65.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.38 99.05 48.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.695 0.759 . . . . 0.0 110.834 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -176.26 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -82.71 116.67 22.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.772 ' O ' HG23 ' A' ' 103' ' ' VAL . 55.8 mttm -43.33 -36.93 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 102' ' ' MET . 1.4 mm? -67.63 -67.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' LEU . 34.7 m -36.72 -30.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.58 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.0 OUTLIER -81.71 -49.15 10.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 99' ' ' LYS . 58.3 t -62.58 -49.47 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 10.7 ptp -53.38 -36.29 61.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.594 ' CD1' HG13 ' A' ' 85' ' ' VAL . 28.3 t80 -75.15 -40.97 59.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.0 mt -63.07 -26.72 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.1 m -60.13 -42.02 93.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.869 ' HB3' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -54.45 -40.02 67.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -81.22 -55.52 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -39.68 -49.77 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -68.56 -42.79 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.568 HD21 ' CD1' ' A' ' 80' ' ' PHE . 13.2 tp -55.55 -44.89 77.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.53 ' CE2' HG22 ' A' ' 46' ' ' ILE . 3.4 m-85 -73.34 -52.44 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -74.48 108.08 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -143.55 73.34 0.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.2 t -140.3 140.99 24.53 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.565 0.698 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 171.42 14.47 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 118' ' ' LEU . 2.7 pp -69.72 157.63 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -127.08 142.88 45.07 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.638 0.733 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 109.64 2.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.25 . . . . 0.0 112.385 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -93.19 118.97 31.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -78.22 99.8 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.8 52.6 0.32 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -103.9 142.03 35.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.369 . . . . 0.0 110.814 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -101.2 140.29 35.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.99 -145.4 18.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -146.78 136.78 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 12' ' ' SER . 96.1 mt -76.55 115.72 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.53 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 41.8 mtm180 -70.98 -58.39 4.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.578 0.704 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.9 Cg_endo -69.79 15.89 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.694 2.262 . . . . 0.0 112.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.504 ' N ' HG22 ' A' ' 9' ' ' ILE . 88.8 p -58.98 -64.57 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.46 -54.97 18.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.832 HD22 HG13 ' A' ' 103' ' ' VAL . 38.9 tp -44.56 -56.69 4.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 tp -49.94 -52.34 34.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -39.46 -60.81 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.506 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 47.6 t90 -51.84 -61.54 2.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.434 ' O ' HG23 ' A' ' 22' ' ' THR . 70.9 m -45.34 -42.35 9.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -69.12 -43.02 75.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -60.21 -50.41 73.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.506 ' NE2' ' CD1' ' A' ' 17' ' ' TRP . 16.1 mm-40 -64.24 -47.53 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 18' ' ' CYS . 39.7 p -64.54 -35.03 79.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -39.54 137.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.34 -44.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -49.8 144.64 6.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -84.41 138.68 32.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 m170 61.73 26.39 16.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -126.97 92.46 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -108.84 85.12 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG21 HG21 ' A' ' 22' ' ' THR . 64.8 t -75.8 106.53 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 38.8 p -117.33 -33.97 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -122.03 -177.84 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 20.9 mt -117.06 14.11 14.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 p -117.17 -60.9 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -77.32 -46.1 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -48.15 -34.49 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.549 ' CZ3' ' CD2' ' A' ' 106' ' ' LEU . 1.4 m95 -109.46 36.13 3.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -85.39 -39.06 18.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.597 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 12.4 t -87.89 -41.54 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 128.88 -36.06 2.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' GLY . 62.5 mt -36.08 -53.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.47 -61.28 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.3 tp -64.94 -46.94 79.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 83.8 m -50.77 -34.12 26.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.34 -48.37 81.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -57.54 -50.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.464 ' HB ' HD12 ' A' ' 55' ' ' ILE . 77.8 mt -59.92 -58.79 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -50.5 -43.82 55.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.9 tpt85 -41.56 -63.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CD1' ' CE1' ' A' ' 113' ' ' PHE . 78.0 m-85 -70.03 -48.44 57.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -128.9 89.47 48.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.709 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -13.97 35.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.65 2.233 . . . . 0.0 112.401 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.14 -36.0 71.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.0 mt -67.56 -44.74 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.569 ' CG2' HD11 ' A' ' 60' ' ' LEU . 56.7 mt -130.2 133.05 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -111.75 96.63 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.76 ' HA ' HD12 ' A' ' 60' ' ' LEU . 4.8 t80 -47.3 -48.51 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -45.28 -36.11 3.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.5 t -83.58 -37.39 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 57' ' ' PHE . 72.8 mt -52.82 118.58 3.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 1.1 t30 -100.66 113.24 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -43.16 -46.0 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 5.4 t70 -61.16 -31.91 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' ASN . 12.6 m-20 -88.09 45.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -45.34 -55.17 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -43.35 -57.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -58.32 -49.9 75.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -51.0 -59.96 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' GLN . 61.4 m-20 -51.25 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' ASN . 2.9 tp-100 -36.37 -47.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.64 -61.68 2.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.84 -52.47 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 22.7 m-85 -56.61 -48.41 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.57 -59.32 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.1 t -47.75 -41.46 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -66.79 -34.41 77.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -80.32 -15.8 56.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -98.55 -27.93 13.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -105.41 -55.22 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.489 ' CD1' HD21 ' A' ' 112' ' ' LEU . 16.4 m-85 -83.77 -20.69 32.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 68.55 36.91 84.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.432 HD12 ' CE1' ' A' ' 109' ' ' PHE . 82.4 mt -108.87 124.12 35.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 111.127 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.8 41.17 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 152.8 69.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.6 m -97.83 -32.65 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.4 t -138.17 162.41 34.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.7 p -89.8 140.05 29.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.34 -36.49 4.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.44 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -62.51 -50.93 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -68.57 -39.5 80.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.3 tpt -51.41 -43.53 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.38 -38.76 15.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -60.59 -61.26 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.84 116.55 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -50.98 -58.34 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.403 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 26.7 tt0 -127.22 105.83 21.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.8 Cg_endo -69.74 176.75 6.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.52 142.56 39.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.473 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -77.99 -30.39 50.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -73.76 -65.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 104' ' ' MET . 32.6 m -41.04 -40.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -61.62 -57.76 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.832 HG13 HD22 ' A' ' 14' ' ' LEU . 77.9 t -52.61 -65.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 101' ' ' SER . 14.4 ptp -35.87 -32.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' VAL . 41.6 t80 -84.52 -42.42 15.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.549 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 20.4 mt -64.08 -49.08 73.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.2 p -45.58 -52.07 11.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.17 -44.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.432 ' CE1' HD12 ' A' ' 82' ' ' ILE . 23.3 m-85 -74.66 -46.57 37.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -42.19 -58.25 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.95 -57.46 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.489 HD21 ' CD1' ' A' ' 80' ' ' PHE . 16.6 tp -45.26 -62.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 50' ' ' PHE . 30.8 m-85 -56.87 -51.39 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -49.48 -70.02 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 173.31 -123.31 0.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -138.72 140.87 28.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 166.21 28.37 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.383 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 17.4 mt -145.87 152.53 39.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -143.28 143.72 25.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 150.91 68.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.875 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 t -132.43 106.19 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 110.876 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p -173.69 168.33 4.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.82 105.78 0.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -94.96 145.11 25.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -142.3 139.12 31.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.93 -111.32 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -68.69 169.9 10.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.769 0.318 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.489 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 20.5 mt -77.07 120.53 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.547 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 33.9 mtt180 -71.76 -56.89 4.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.9 Cg_endo -69.76 14.89 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.489 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 1.8 t -88.55 -56.24 3.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -60.02 -45.92 91.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD12 ' CG ' ' A' ' 110' ' ' TYR . 27.6 tp -48.19 -62.12 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.5 tp -39.94 -51.31 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.8 m -43.96 -58.02 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -49.64 -61.77 1.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.4 m -46.87 -51.47 16.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.78 -45.04 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -63.14 -55.83 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -49.02 -44.64 41.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.8 p -93.44 36.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -91.54 117.58 29.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 113.39 -46.13 1.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' GLY . 8.8 m-85 -36.04 148.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.959 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.441 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -90.01 146.7 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 m170 54.74 31.76 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' GLN . 57.0 t -128.24 93.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.89 111.97 23.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -101.14 104.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.8 p -111.93 -38.89 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -128.59 -175.67 3.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 21.4 mt -114.74 19.62 15.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 p -130.91 -32.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.9 p -97.3 -47.79 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.537 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 20.3 p -58.73 -11.73 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.537 ' CD1' ' OG ' ' A' ' 36' ' ' SER . 10.1 m95 -119.08 18.12 13.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -74.55 -43.68 54.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.476 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 16.2 t -78.03 -40.83 37.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 118.14 -38.15 3.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.448 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 67.0 mt -36.39 -56.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -33.99 -67.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.97 -52.2 65.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.435 ' HB3' HG21 ' A' ' 55' ' ' ILE . 81.2 m -46.79 -37.35 8.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.31 -48.68 80.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.61 -43.02 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.629 ' HB ' HD12 ' A' ' 55' ' ' ILE . 47.5 mt -71.95 -56.62 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -49.5 -47.98 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -64.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -69.3 -51.03 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.483 ' HB2' HD12 ' A' ' 54' ' ' LEU . 5.2 mmp_? -124.15 90.59 50.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.51 29.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.81 -30.82 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 51' ' ' ARG . 59.6 mt -72.6 -44.43 62.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.629 HD12 ' HB ' ' A' ' 47' ' ' ILE . 80.8 mt -131.44 134.38 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -109.2 88.1 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.723 ' HA ' HD12 ' A' ' 60' ' ' LEU . 8.0 t80 -46.15 -52.32 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -39.75 -38.56 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -77.51 -41.85 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 57' ' ' PHE . 57.6 mt -50.39 119.72 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.702 HD22 ' HB3' ' A' ' 63' ' ' ASP . 3.8 t30 -110.08 119.11 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 63' ' ' ASP . 2.7 pp20? -35.01 -52.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.702 ' HB3' HD22 ' A' ' 61' ' ' ASN . 26.6 t70 -55.19 -41.9 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ASN . 17.9 m-20 -79.76 43.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' VAL . . . -47.63 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' ALA . 92.4 t -37.39 -57.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -56.99 -50.46 72.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.432 ' OD1' HD22 ' A' ' 60' ' ' LEU . 88.7 m-20 -52.5 -59.41 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 39' ' ' SER . 58.1 m-20 -55.44 -59.46 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -46.42 -46.05 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 60' ' ' LEU . 40.5 tp -51.52 -64.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.78 -50.44 25.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -54.85 -49.3 71.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.86 -43.04 99.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.9 t -64.97 -36.8 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -70.68 -30.67 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -86.21 -15.96 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.13 -33.26 10.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -97.53 -55.09 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -86.48 -23.12 26.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 72.88 30.57 63.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.446 HD12 ' CE1' ' A' ' 109' ' ' PHE . 50.6 mt -100.74 120.73 54.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.158 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.79 11.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.411 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 54.1 Cg_endo -69.77 142.79 48.85 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.2 m -79.84 -31.0 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -138.14 158.3 44.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.9 p -96.36 139.58 32.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.58 -48.35 1.26 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -47.97 -52.31 20.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.91 -42.33 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.5 tpt -47.82 -39.8 19.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.78 -38.74 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -62.94 -61.77 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.25 112.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -43.25 -57.25 3.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -135.52 114.79 11.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.645 0.736 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.75 10.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.84 127.57 32.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 103' ' ' VAL . 18.3 ttmm -60.52 -46.2 91.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.39 -66.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 104' ' ' MET . 7.5 t -40.67 -43.42 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 55.1 mmm -67.06 -54.2 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 99' ' ' LYS . 95.5 t -52.34 -47.84 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 18.1 ptp -60.68 -40.61 92.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.463 ' N ' ' HG3' ' A' ' 104' ' ' MET . 51.4 t80 -66.36 -57.78 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.9 mt -50.03 -50.07 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 t -42.42 -36.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HD3' HG21 ' A' ' 82' ' ' ILE . 22.1 mtpt -54.37 -45.05 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.446 ' CE1' HD12 ' A' ' 82' ' ' ILE . 30.2 m-85 -77.33 -44.61 28.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.444 ' CG ' HD12 ' A' ' 14' ' ' LEU . 7.7 t80 -43.81 -59.03 2.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -68.47 -43.35 77.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.5 tp -43.76 -46.4 7.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -92.93 -52.21 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -55.55 -65.22 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -175.53 109.28 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.5 p -74.87 150.98 86.43 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 130.68 19.79 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.8 mt -102.08 42.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -100.37 130.51 25.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 148.44 64.81 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.689 2.26 . . . . 0.0 112.308 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.905 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -135.45 173.38 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.959 0.409 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -88.45 160.13 17.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.14 160.06 0.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -140.72 159.07 43.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.919 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -47.01 134.99 9.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.59 -65.44 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.3 40.6 11.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 12' ' ' SER . 3.7 mp -82.13 132.62 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.527 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 42.5 mtm-85 -69.05 -58.33 6.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 54.0 Cg_endo -69.75 10.67 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.455 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -51.1 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -51.89 -56.34 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 tp -49.2 -51.77 30.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.1 m -45.72 -59.61 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -49.29 -52.44 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.5 m -54.52 -51.55 64.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -48.44 -47.0 38.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -58.0 -49.09 78.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -55.4 -49.06 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.545 HG22 ' HB3' ' A' ' 45' ' ' ALA . 68.0 p -85.71 34.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -83.32 137.08 34.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 90.01 -41.29 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.541 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' GLY . 22.3 m-85 -36.74 135.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -82.71 144.38 30.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 58.45 25.23 12.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -125.66 100.64 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -118.68 90.13 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.2 t -76.96 123.04 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 t -131.49 -32.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.85 -175.21 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.519 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 12.1 mt -119.91 32.98 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.1 p -128.18 -57.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.2 p -86.06 -42.71 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 4.4 m -52.51 -32.29 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 2.8 m95 -109.72 33.25 4.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HA ' ' HE3' ' A' ' 91' ' ' MET . 25.7 ptt-85 -87.24 -39.11 15.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 47.7 t -87.62 -39.3 15.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 124.71 -36.12 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' GLY . 93.6 mt -35.71 -48.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -44.8 -63.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.7 tp -61.61 -55.21 33.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.3 m -43.45 -34.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.545 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -62.06 -49.04 77.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -57.64 -55.11 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.467 ' HB ' HD12 ' A' ' 55' ' ' ILE . 79.0 mt -55.74 -61.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -38.56 -49.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -45.69 -56.71 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -68.96 -54.57 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -126.17 89.39 52.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -6.47 18.66 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -80.79 -38.04 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.2 mt -68.22 -42.9 79.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.739 ' CG2' HD11 ' A' ' 60' ' ' LEU . 68.4 mt -125.51 140.84 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.3 m-20 -114.35 79.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.7 ' HA ' HD12 ' A' ' 60' ' ' LEU . 5.0 t80 -40.78 -46.92 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.91 -38.56 70.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' ASN . 5.6 t -80.23 -32.73 38.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.739 HD11 ' CG2' ' A' ' 55' ' ' ILE . 97.1 mt -54.91 118.89 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.614 HD22 ' HB3' ' A' ' 63' ' ' ASP . 9.7 t30 -102.49 117.92 35.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -39.55 -49.28 2.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.614 ' HB3' HD22 ' A' ' 61' ' ' ASN . 19.2 t0 -55.53 -36.91 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -81.55 40.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.96 -47.52 52.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.8 t -48.71 -53.19 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -65.39 -47.23 77.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -51.52 -55.44 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 39' ' ' SER . 67.3 m-20 -57.38 -63.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -44.88 -39.87 5.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.88 -66.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.13 -44.38 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -64.57 -54.33 33.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.92 -44.51 70.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.38 -38.57 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.92 59.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.069 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -95.89 -11.87 26.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -103.75 -34.0 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.73 -45.25 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.438 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 4.3 m-85 -98.09 -23.07 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.84 54.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.9 mt -99.75 119.63 59.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 124.87 11.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.32 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.66 51.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.2 m -80.87 -31.17 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.589 HG21 ' SD ' ' A' ' 91' ' ' MET . 9.4 t -136.05 152.19 50.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 88' ' ' GLY . 71.1 p -94.8 132.92 39.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.92 -49.05 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -64.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -65.43 -46.41 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.589 ' SD ' HG21 ' A' ' 86' ' ' THR . 10.6 tpt -41.2 -52.8 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.78 90.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.6 m -57.48 -61.69 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.28 124.34 15.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -69.55 -51.63 33.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 9.1 tt0 -125.02 103.52 30.36 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.1 Cg_endo -69.72 -176.11 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' LYS . 2.2 m-20 -88.88 104.78 17.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.768 ' O ' HG23 ' A' ' 103' ' ' VAL . 14.0 ttmt -38.1 -40.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.25 -67.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 t -38.76 -44.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.7 mmm -65.66 -48.56 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 99' ' ' LYS . 88.6 t -60.04 -50.81 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.6 ptm -60.55 -39.09 86.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.46 -44.89 73.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 103' ' ' VAL . 20.1 mt -53.76 -51.77 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.5 p -39.88 -39.15 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -43.71 -47.19 7.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -84.17 -50.78 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.523 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 77.1 t80 -39.8 -54.84 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -60.1 -58.59 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.2 tp -45.14 -61.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -58.13 -52.29 66.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.523 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 26.1 ttp180 -68.08 103.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.55 72.35 0.43 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -136.49 140.87 33.64 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.567 0.699 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 112.23 3.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -72.23 153.81 41.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -96.5 140.22 22.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 133.22 24.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.297 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.893 0.377 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -67.04 -43.99 81.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -51.12 -56.52 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 tp -42.34 -58.09 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' TRP . 17.4 m -38.34 -69.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' THR . 57.1 t90 -37.44 -59.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.6 m -52.13 -57.58 9.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -51.3 -36.57 43.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -66.9 -49.97 63.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -59.39 -47.25 86.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.0 p -70.99 -24.95 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -47.19 133.96 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.07 -48.09 1.0 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -46.43 169.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 28' ' ' VAL . 25.7 mp0 -109.89 147.77 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 56.01 25.5 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 26' ' ' GLN . 95.9 t -128.27 96.78 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -112.63 100.74 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.69 113.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.7 p -119.92 -22.33 6.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.79 -175.18 3.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.3 mt -119.62 33.17 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 p -128.85 -74.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t -76.26 -29.33 57.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.508 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 5.8 m -55.04 -14.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.459 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.4 m95 -127.34 29.47 5.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -84.84 -22.63 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.831 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.2 t -96.78 -27.62 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 106.14 -39.73 2.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.447 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 85.7 mt -37.36 -49.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -42.05 -63.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 tp -59.86 -57.34 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.609 ' HB3' HG21 ' A' ' 55' ' ' ILE . 67.6 m -41.27 -40.66 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.0 -47.56 84.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.8 mt -59.26 -47.4 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.415 ' HB ' HD12 ' A' ' 55' ' ' ILE . 58.2 mt -63.19 -69.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.484 ' ND1' ' C ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -39.51 -40.58 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -44.12 -52.66 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.14 -43.75 21.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.679 ' HB2' HD12 ' A' ' 54' ' ' LEU . 25.1 mmt85 -131.16 89.54 41.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.81 31.71 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.467 ' OE1' ' CA ' ' A' ' 51' ' ' ARG . 1.1 pm0 -67.72 -15.43 63.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.679 HD12 ' HB2' ' A' ' 51' ' ' ARG . 23.5 mt -88.84 -50.63 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.609 HG21 ' HB3' ' A' ' 44' ' ' CYS . 91.5 mt -121.8 135.6 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.482 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -115.26 87.43 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.593 ' HA ' HD12 ' A' ' 60' ' ' LEU . 4.2 t80 -46.83 -37.44 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -46.3 -41.9 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.1 t -81.69 -28.59 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 57' ' ' PHE . 73.7 mt -64.56 101.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' ASP . 3.5 t30 -98.49 131.55 44.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ASN . 1.2 pp20? -35.01 -53.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.443 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 4.9 t70 -51.87 -42.05 62.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' ASN . 94.0 m-20 -79.06 49.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.22 -57.23 13.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -43.87 -54.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.39 -44.89 93.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.434 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 52.4 m-20 -54.86 -30.41 57.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -81.8 -58.81 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -45.92 -42.6 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.7 tp -53.38 -62.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.38 -50.01 63.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -52.09 -61.08 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.34 -55.91 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -48.71 -44.61 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -69.09 -26.89 65.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -87.27 -15.0 39.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -97.15 -33.62 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -98.28 -55.35 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -85.95 -24.04 26.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 77.57 16.71 79.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.4 mt -87.55 112.27 47.35 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.723 . . . . 0.0 111.121 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 135.62 30.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.51 28.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.623 2.215 . . . . 0.0 112.364 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.82 -32.52 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.481 HG21 ' SD ' ' A' ' 91' ' ' MET . 5.4 t -127.34 161.58 28.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLY . 75.5 p -92.51 136.48 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.4 -50.17 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -55.81 -52.56 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.57 -40.84 93.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.481 ' SD ' HG21 ' A' ' 86' ' ' THR . 9.3 tpt -54.02 -45.62 71.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.86 -38.32 38.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -60.37 -58.69 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.65 126.63 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.111 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -74.14 -52.91 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 32.8 tt0 -128.35 96.51 30.64 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.621 0.725 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.4 Cg_endo -69.78 -178.23 2.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.733 2.289 . . . . 0.0 112.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.67 107.31 18.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 103' ' ' VAL . 36.2 ttpt -44.61 -31.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.72 -66.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.6 m -46.5 -28.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.9 mmm -74.22 -54.44 7.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 99' ' ' LYS . 53.9 t -53.28 -52.47 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 17.8 ptp -51.35 -36.73 44.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.412 ' N ' ' HG3' ' A' ' 104' ' ' MET . 56.7 t80 -75.63 -58.93 2.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.6 mt -49.8 -42.48 46.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.3 m -43.4 -49.12 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -48.62 -41.3 30.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -73.26 -27.51 61.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -71.62 -50.43 30.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.31 -41.21 70.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.27 -37.25 72.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -86.71 -48.89 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.989 0.423 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -47.9 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.426 HD21 ' CD1' ' A' ' 106' ' ' LEU . 13.8 tp -53.33 -48.99 68.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.8 tp -48.96 -50.34 36.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -50.02 -61.42 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -45.77 -48.8 15.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.7 m -64.12 -38.77 92.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.12 -43.19 99.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -62.44 -57.78 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -49.53 -50.42 41.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' GLU . 41.2 p -67.55 -37.85 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' THR . 9.7 tt0 -37.29 133.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.05 -42.71 1.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -54.99 166.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.848 ' O ' HG23 ' A' ' 28' ' ' VAL . 2.4 mp0 -99.1 154.93 17.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 43.11 28.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 26' ' ' GLN . 83.8 t -125.18 97.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -117.45 99.34 6.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -89.32 112.49 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.0 p -120.92 -37.43 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -124.16 -178.61 4.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -119.7 31.01 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 p -132.68 -44.94 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.5 p -96.62 -40.37 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -54.67 -32.39 59.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.485 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.9 m95 -110.41 34.88 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.473 ' HA ' ' HE3' ' A' ' 91' ' ' MET . 14.4 ptt180 -86.12 -36.33 19.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 t -89.69 -39.09 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 125.2 -36.69 2.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 73.4 mt -34.62 -56.09 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.12 -57.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.07 -59.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.0 m -40.79 -39.64 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.96 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.3 -56.11 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.62 ' HB ' HD12 ' A' ' 55' ' ' ILE . 17.2 mt -60.34 -65.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -41.54 -42.46 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -49.26 -62.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -66.31 -53.7 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.3 mmt-85 -121.47 89.51 47.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.49 37.03 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.762 2.308 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -70.26 -29.0 65.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.473 HD13 ' HG3' ' A' ' 79' ' ' GLU . 74.0 mt -74.35 -59.41 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.62 HD12 ' HB ' ' A' ' 47' ' ' ILE . 90.4 mt -110.91 140.67 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -115.37 87.63 2.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.471 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 19.0 t80 -53.51 -40.28 65.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -40.47 -42.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -80.18 -47.38 14.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.755 HD21 HD22 ' A' ' 71' ' ' LEU . 71.0 mt -51.54 113.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.476 ' ND2' ' HB3' ' A' ' 63' ' ' ASP . 1.8 t30 -113.67 144.75 42.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -42.2 -55.72 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.476 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 23.7 t70 -45.99 -33.33 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 1.4 m-20 -92.34 75.53 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.78 -56.57 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.619 HG11 ' HE2' ' A' ' 89' ' ' LYS . 97.5 t -48.28 -51.19 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.6 -48.84 79.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 85.6 m-20 -51.92 -58.22 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -57.28 -63.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -42.75 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.755 HD22 HD21 ' A' ' 60' ' ' LEU . 52.2 tp -57.48 -68.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.36 -46.24 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.12 -47.6 85.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -62.38 -40.65 97.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 55' ' ' ILE . 55.2 t -67.39 -44.57 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.68 74.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -85.67 -12.07 52.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -98.93 -32.67 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.473 ' HG3' HD13 ' A' ' 54' ' ' LEU . 50.7 mm-40 -99.15 -54.33 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -86.34 -20.13 28.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.57 33.8 72.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 95.8 mt -100.62 125.67 38.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 129.35 17.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 140.24 42.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 86' ' ' THR . 34.5 m -79.88 -41.16 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.426 ' N ' HG23 ' A' ' 85' ' ' VAL . 11.9 t -127.14 156.88 41.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -90.99 144.5 25.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.48 -45.29 6.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.619 ' HE2' HG11 ' A' ' 66' ' ' VAL . 38.2 mmtt -52.83 -50.21 64.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.48 -47.08 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.473 ' HE3' ' HA ' ' A' ' 38' ' ' ARG . 8.6 tpt -43.58 -44.74 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.06 -38.78 24.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -61.7 -64.57 0.9 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.97 108.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.51 -59.03 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 4.9 tt0 -109.34 96.34 21.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.4 Cg_endo -69.71 179.65 3.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.384 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -84.71 101.37 12.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 103' ' ' VAL . 79.1 tttt -38.54 -50.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.17 -60.06 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.7 m -45.27 -39.84 6.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.0 mmm -69.02 -51.68 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 99' ' ' LYS . 99.6 t -56.13 -51.71 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 5.3 ptm -54.47 -38.25 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.412 ' N ' ' HG3' ' A' ' 104' ' ' MET . 82.6 t80 -71.07 -63.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD1' HD21 ' A' ' 14' ' ' LEU . 11.0 mt -42.45 -48.37 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -41.69 -38.1 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -48.84 -42.58 36.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -83.1 -47.99 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.477 ' CZ ' ' HD2' ' A' ' 114' ' ' ARG . 83.7 t80 -43.89 -61.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.958 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.45 -47.43 85.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.5 tp -48.73 -58.77 4.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -64.65 -50.48 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.477 ' HD2' ' CZ ' ' A' ' 110' ' ' TYR . 26.7 ttt-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -52.7 -23.88 7.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -70.09 -55.9 8.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.0 tp -54.75 -42.18 71.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -56.98 -61.87 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.413 ' CZ3' ' HA ' ' A' ' 110' ' ' TYR . 77.3 t90 -47.3 -45.39 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.3 m -65.4 -41.82 93.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -60.13 -44.14 95.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -58.35 -52.22 66.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -55.41 -47.86 75.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 p -68.66 -30.03 68.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -44.13 138.0 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.91 -41.46 2.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -52.77 170.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -111.59 149.26 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 52.86 32.17 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 t -128.4 101.36 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -113.31 105.31 13.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -102.59 110.53 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.2 p -124.31 -30.32 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -124.43 -178.14 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.86 29.25 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 p -124.02 -61.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.47 -29.16 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.652 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 10.3 m -53.89 -16.72 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.423 ' CZ3' HD22 ' A' ' 106' ' ' LEU . 3.6 m95 -126.05 29.16 5.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -81.67 -33.75 31.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.4 t -93.37 -23.48 18.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 102.93 -33.47 6.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.467 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 89.9 mt -36.83 -52.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -39.02 -68.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.31 -48.9 77.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -48.27 -26.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.98 -41.82 50.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.01 -48.97 81.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.472 ' HB ' HD12 ' A' ' 55' ' ' ILE . 42.1 mt -63.24 -52.62 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.487 ' C ' ' ND1' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -57.97 -31.1 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' CD ' ' C ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -48.94 -62.07 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -68.95 -52.27 30.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -123.9 89.57 51.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.726 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.455 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.82 -0.48 7.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.57 -28.98 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.7 mt -72.39 -38.76 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.555 HG23 ' CD2' ' A' ' 71' ' ' LEU . 44.7 mt -128.43 131.13 69.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -101.2 82.91 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.702 ' HA ' HD12 ' A' ' 60' ' ' LEU . 6.1 t80 -59.07 -32.9 70.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -58.49 -19.65 38.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -102.76 -32.91 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 57' ' ' PHE . 86.3 mt -51.44 118.97 3.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.535 HD22 ' N ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -105.69 122.8 46.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.535 ' N ' HD22 ' A' ' 61' ' ' ASN . 18.9 tt0 -35.94 -52.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.486 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 2.9 t70 -54.94 -40.09 69.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 61' ' ' ASN . 42.3 m-20 -77.16 47.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.12 -57.96 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.7 t -39.42 -55.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.65 -45.24 87.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.441 ' HA ' HD22 ' A' ' 60' ' ' LEU . 89.7 m-20 -49.91 -50.13 47.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -66.04 -56.91 9.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -47.28 -37.96 11.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.693 ' O ' HG23 ' A' ' 75' ' ' VAL . 60.9 tp -58.61 -62.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -39.9 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 7.9 m-30 -61.56 -61.57 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -53.36 -38.55 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 71' ' ' LEU . 79.8 t -63.31 -53.49 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.23 -19.63 65.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -93.43 -14.18 27.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -95.96 -31.4 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.32 -55.11 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -84.54 -22.23 30.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.71 14.88 79.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.3 mt -87.4 114.99 61.29 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.59 0.71 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.08 44.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 153.46 69.02 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.731 HG13 ' CD1' ' A' ' 105' ' ' TYR . 13.6 m -83.39 -38.29 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.602 HG21 ' SD ' ' A' ' 91' ' ' MET . 10.1 t -126.16 165.44 18.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' GLY . 57.1 p -90.51 133.32 35.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.69 -53.82 0.81 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -49.92 -56.73 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.56 -47.41 84.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.602 ' SD ' HG21 ' A' ' 86' ' ' THR . 9.2 tpt -42.28 -42.18 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.5 -34.16 47.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.3 m -60.06 -66.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.17 113.7 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.33 -41.3 94.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -127.46 96.62 32.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.62 30.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.57 111.7 4.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.621 ' O ' HG23 ' A' ' 103' ' ' VAL . 26.1 ttpt -46.62 -23.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -65.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -52.71 -16.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 41.3 mmm -84.44 -53.17 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 99' ' ' LYS . 87.7 t -63.54 -43.77 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 16.2 ptm -58.79 -31.43 68.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.731 ' CD1' HG13 ' A' ' 85' ' ' VAL . 39.0 t80 -81.11 -67.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.423 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 35.1 mt -43.16 -43.17 4.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.3 m -44.18 -39.17 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -58.04 -48.22 80.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -64.81 -42.38 95.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 21.5 t80 -58.31 -61.54 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -57.88 -48.83 78.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.0 tp -53.68 -61.58 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -57.02 -52.41 65.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.938 0.399 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -53.02 -56.63 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.0 tp -46.32 -64.48 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.6 tp -39.81 -54.99 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.2 m -40.31 -53.0 2.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -52.76 -61.2 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.6 m -48.81 -52.77 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -47.92 -45.26 30.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -64.05 -50.65 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -53.47 -44.07 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.441 HG22 ' HB3' ' A' ' 45' ' ' ALA . 43.5 p -92.94 33.98 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -88.65 127.32 35.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 102.59 -44.16 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' GLY . 11.5 m-85 -36.41 152.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' NE2' ' HA ' ' A' ' 26' ' ' GLN . 8.0 mm-40 -93.32 144.13 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 56.08 28.99 13.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 26' ' ' GLN . 71.1 t -126.63 99.47 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -114.86 98.8 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.4 t -91.24 108.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -119.32 -37.06 3.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.191 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -122.64 -176.92 3.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 mt -120.62 31.43 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.1 p -131.78 -53.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.0 p -87.59 -36.83 17.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 m -52.37 -35.37 51.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CH2' HD22 ' A' ' 106' ' ' LEU . 3.5 m95 -104.41 30.06 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -84.61 -37.04 21.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.469 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 10.0 t -85.2 -53.11 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.428 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 135.26 -38.32 1.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD23 ' OD1' ' A' ' 68' ' ' ASN . 53.9 mt -42.84 -36.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.86 -58.34 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 53.9 tp -67.18 -54.13 23.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 92.9 m -42.76 -39.24 2.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -57.03 -57.94 10.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.061 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.0 mt -45.25 -50.68 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mt -63.97 -64.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -46.06 -30.97 2.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -59.8 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -75.49 -48.55 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -123.66 89.44 51.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -24.22 30.09 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.94 -39.47 78.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.37 -49.56 54.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.746 ' CG2' HD11 ' A' ' 60' ' ' LEU . 29.9 mt -131.07 133.31 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -112.61 95.68 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.409 ' HA ' HD12 ' A' ' 60' ' ' LEU . 9.4 t80 -39.19 -36.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.87 -42.6 99.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 56' ' ' ASN . 4.5 m -73.99 -29.77 62.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.746 HD11 ' CG2' ' A' ' 55' ' ' ILE . 88.0 mt -64.28 108.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.755 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 1.3 t-20 -75.25 112.34 11.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.6 -30.61 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.755 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 28.8 t70 -73.02 -33.62 65.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -83.67 54.9 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -52.64 -47.33 67.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.5 t -49.93 -55.5 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.53 -48.64 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.554 ' OD1' HD23 ' A' ' 41' ' ' LEU . 9.1 m-80 -41.99 -59.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 39' ' ' SER . 85.4 m-20 -54.71 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -42.62 -44.19 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.9 tp -56.98 -66.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -43.45 -49.49 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 20.9 m-85 -58.04 -51.39 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.73 -47.79 79.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.1 -45.75 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -66.76 -38.18 86.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -74.21 -11.89 60.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -101.58 -61.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.01 -54.37 10.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -82.97 -15.85 49.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 61.6 33.39 84.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.8 mt -101.88 119.85 55.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 111.082 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 129.2 17.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 150.25 68.18 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.7 m -90.56 -30.41 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -137.54 162.71 33.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.1 p -93.03 138.05 31.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.63 -44.41 4.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -54.05 -50.45 66.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -69.39 -44.76 70.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.9 tpt -49.21 -44.98 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.35 -38.02 42.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.3 m -61.74 -62.66 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.45 117.48 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -61.33 -59.95 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 9.5 tt0 -117.62 96.36 49.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.4 Cg_endo -69.82 179.47 3.7 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -78.73 139.33 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 103' ' ' VAL . 11.8 pttp -75.97 -37.5 58.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.01 -65.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -47.14 -39.11 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -63.94 -48.15 77.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 99' ' ' LYS . 70.2 t -63.9 -63.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.6 ptm -40.6 -39.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -71.69 -60.04 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.546 HD22 ' CH2' ' A' ' 37' ' ' TRP . 19.2 mt -47.04 -45.41 21.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.1 t -42.63 -44.08 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -47.02 -45.72 21.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -74.42 -39.86 62.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -49.53 -57.38 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.49 -48.37 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 tp -47.44 -53.17 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -70.51 -43.45 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.0 ttp85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.942 0.401 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -60.89 -32.82 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.5 -51.15 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.476 HD11 HG12 ' A' ' 30' ' ' VAL . 54.3 tp -58.35 -40.31 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 m -56.1 -59.79 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -48.94 -49.09 41.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.9 m -60.03 -51.2 70.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -51.54 -36.56 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.29 -49.21 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -62.59 -42.95 99.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 p -73.88 -27.51 61.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -48.28 135.83 13.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.31 -41.68 2.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -55.6 167.91 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.932 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.478 ' O ' HG23 ' A' ' 28' ' ' VAL . 9.2 pm0 -106.35 146.56 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 54.28 32.53 16.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 26' ' ' GLN . 67.7 t -125.43 102.64 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.557 ' OD1' HG23 ' A' ' 31' ' ' THR . 1.0 OUTLIER -115.1 104.62 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.476 HG12 HD11 ' A' ' 15' ' ' LEU . 89.4 t -93.44 103.52 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.557 HG23 ' OD1' ' A' ' 29' ' ' ASN . 66.5 p -117.06 -29.52 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -131.66 -175.54 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 15.2 mt -123.92 25.95 7.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 p -130.49 -38.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.0 p -99.27 -48.92 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 12.2 m -52.73 -22.64 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.477 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.3 m95 -115.44 29.55 7.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -86.59 -35.34 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 24.0 t -86.14 -37.71 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 122.21 -38.03 2.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.545 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLY . 56.4 mt -34.74 -49.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -40.55 -66.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 44' ' ' CYS . 30.7 tp -57.97 -57.0 14.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.424 ' SG ' HD13 ' A' ' 60' ' ' LEU . 95.9 m -36.56 -42.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.84 72.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.12 -51.0 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.517 ' HB ' HD12 ' A' ' 55' ' ' ILE . 51.6 mt -64.4 -61.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 3.4 t-80 -43.59 -43.01 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.8 tpt85 -42.81 -61.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -68.63 -51.55 40.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HB2' HD12 ' A' ' 54' ' ' LEU . 40.2 mmt180 -126.68 89.46 52.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.585 0.707 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.74 -15.15 37.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.8 -31.29 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 51' ' ' ARG . 33.8 mt -70.8 -46.01 63.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.554 ' CG2' HD11 ' A' ' 60' ' ' LEU . 96.2 mt -122.18 143.38 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -117.96 93.75 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -54.84 -39.47 68.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -51.34 -35.86 40.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 p -82.14 -47.87 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.554 HD11 ' CG2' ' A' ' 55' ' ' ILE . 47.5 mt -52.54 105.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.4 t30 -103.68 131.48 50.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 61' ' ' ASN . 11.3 pt-20 -35.28 -48.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.452 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 9.8 t0 -49.15 -45.54 43.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.0 m-20 -84.56 61.61 6.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.93 -58.67 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -42.85 -53.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.96 -44.69 95.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -48.57 -55.64 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' OD1' ' CA ' ' A' ' 40' ' ' GLY . 72.8 m-80 -59.42 -60.86 3.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -41.83 -43.21 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.548 HD23 HD21 ' A' ' 60' ' ' LEU . 59.9 tp -56.65 -66.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.16 -45.43 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -59.77 -51.65 68.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.39 -38.85 81.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.4 -46.14 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.423 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -68.02 -30.97 70.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -83.64 -13.82 53.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.444 ' CZ ' ' O ' ' A' ' 78' ' ' ARG . 3.5 tpm_? -99.94 -29.22 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -101.87 -51.83 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 17.2 m-85 -87.69 -20.87 25.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.87 27.98 69.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 84.3 mt -97.63 121.04 59.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.25 20.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.56 40.57 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.5 m -82.82 -28.24 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.459 HG21 ' SD ' ' A' ' 91' ' ' MET . 9.6 t -138.25 155.42 48.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.5 p -89.96 140.86 29.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.83 -37.84 2.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -56.64 -62.06 2.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.01 -38.32 90.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.459 ' SD ' HG21 ' A' ' 86' ' ' THR . 8.9 tpt -56.6 -45.14 81.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.86 -34.82 29.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.6 m -63.77 -61.25 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.51 113.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.471 ' NE2' ' CB ' ' A' ' 96' ' ' GLU . 3.8 pp0? -59.61 -42.88 93.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.471 ' CB ' ' NE2' ' A' ' 95' ' ' GLN . 6.7 tt0 -133.6 96.49 16.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.19 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.44 111.2 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -43.79 -53.29 6.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.19 -66.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.9 m -41.32 -39.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.1 mmt -68.37 -52.44 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.17 -57.51 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.8 ptm -49.19 -33.84 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -76.52 -66.04 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.07 -41.18 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -42.7 -45.24 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -47.94 -52.07 21.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -64.39 -50.87 65.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 114' ' ' ARG . 67.9 t80 -42.42 -46.51 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.954 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -74.34 -53.46 9.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 tp -44.77 -53.01 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -72.14 -47.22 52.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 110' ' ' TYR . 53.9 ttt-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.958 0.409 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -58.26 -50.67 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -52.61 -53.8 41.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 tp -49.78 -53.47 24.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.5 m -45.65 -52.89 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -51.72 -57.84 8.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.2 m -53.25 -45.26 68.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -54.97 -46.14 75.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -61.7 -49.58 75.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -53.99 -46.12 71.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -90.85 34.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -85.24 124.27 31.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.94 -41.43 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -38.34 153.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.773 ' O ' HG23 ' A' ' 28' ' ' VAL . 24.7 mm-40 -95.42 157.55 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 42.67 27.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 26' ' ' GLN . 78.9 t -125.95 93.1 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.18 94.53 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -82.36 105.36 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 p -112.51 -38.25 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -123.78 179.03 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mt -114.03 25.58 11.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 p -126.27 -53.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.2 p -83.34 -42.4 17.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.731 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 10.9 m -49.79 -32.26 13.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.48 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 m95 -110.68 36.07 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -91.49 -32.88 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -96.3 -37.43 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.13 -36.24 2.65 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.6 mt -38.36 -43.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -50.56 -63.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 72' ' ' ALA . 61.0 tp -65.31 -53.92 36.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.1 m -43.02 -35.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.87 -60.9 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.1 mt -43.07 -58.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mt -57.6 -67.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -42.73 -27.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.67 -61.03 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -69.8 -51.05 37.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -126.54 89.46 52.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -10.27 28.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.753 2.302 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -75.62 -19.76 58.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.4 mt -87.09 -37.07 17.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.608 ' CG2' HD11 ' A' ' 60' ' ' LEU . 30.8 mt -135.18 137.0 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.45 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 18.3 t-20 -108.93 79.57 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.616 ' HA ' HD12 ' A' ' 60' ' ' LEU . 16.5 t80 -45.98 -57.69 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.45 ' CG ' ' OD1' ' A' ' 56' ' ' ASN . 3.4 p-10 -37.09 -34.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.427 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 28.2 t -82.58 -48.37 11.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.724 HD22 ' OD1' ' A' ' 68' ' ' ASN . 28.9 mt -50.7 112.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.8 t30 -109.97 145.71 36.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 18.1 tt0 -35.0 -57.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.488 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 3.5 t70 -44.38 -42.57 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 52.6 m-20 -79.84 44.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.52 -59.8 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.9 t -47.4 -46.61 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.73 -45.71 77.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.724 ' OD1' HD22 ' A' ' 60' ' ' LEU . 92.4 m-20 -51.69 -43.27 62.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -68.48 -60.76 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -48.45 -39.72 23.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 tp -56.95 -67.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.464 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -44.3 -47.01 9.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -57.27 -50.39 73.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.76 -44.36 90.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.64 -39.08 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.58 -24.26 61.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -94.19 -14.03 26.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -100.51 -28.95 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -101.77 -54.82 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -85.92 -18.2 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.24 30.23 69.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.426 HG21 ' HD2' ' A' ' 108' ' ' LYS . 91.0 mt -99.42 121.98 53.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.63 21.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 144.91 55.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 86' ' ' THR . 26.8 m -82.85 -45.36 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.494 ' N ' HG23 ' A' ' 85' ' ' VAL . 8.8 t -127.29 167.56 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.2 p -93.79 139.19 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -38.03 -49.76 2.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -49.32 -63.46 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -55.22 -45.23 75.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.3 tpt -48.47 -51.04 29.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.62 -38.75 64.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -59.48 -64.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.51 117.96 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 28.4 pt20 -64.25 -44.7 90.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 19.8 tt0 -131.73 96.32 21.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.0 Cg_endo -69.72 174.58 9.27 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.361 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' LYS . 7.6 t0 -76.21 104.08 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.729 ' O ' HG23 ' A' ' 103' ' ' VAL . 18.8 ttmm -37.86 -40.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' VAL . 4.4 mm? -62.54 -66.83 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -38.07 -38.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.457 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.1 OUTLIER -72.59 -45.76 57.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 99' ' ' LYS . 84.7 t -63.04 -55.75 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 19.0 ptm -47.17 -36.05 8.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -77.27 -58.49 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.421 HD21 ' CE3' ' A' ' 37' ' ' TRP . 47.4 mt -47.06 -46.16 22.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 m -43.42 -48.58 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.426 ' HD2' HG21 ' A' ' 82' ' ' ILE . 41.9 mttt -43.48 -52.05 6.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -63.86 -48.27 77.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.403 ' CE1' ' HD3' ' A' ' 114' ' ' ARG . 11.8 t80 -42.95 -62.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -60.2 -54.65 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -43.81 -63.99 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -59.46 -51.66 68.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.403 ' HD3' ' CE1' ' A' ' 110' ' ' TYR . 22.0 ttt-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -59.32 -51.71 68.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -42.77 -45.98 5.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.05 -49.65 73.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.4 m -47.49 -54.67 10.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -51.29 -56.26 13.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.2 m -52.32 -49.41 64.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -52.43 -50.94 61.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -51.25 -54.28 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -56.93 -40.01 75.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -91.47 30.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -88.03 124.06 33.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 107.04 -45.27 1.33 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' GLY . 19.3 m-85 -34.84 148.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.57 ' O ' HG23 ' A' ' 28' ' ' VAL . 66.1 mt-30 -85.95 146.61 26.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 47.11 29.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 26' ' ' GLN . 44.1 t -124.34 93.84 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -114.25 96.62 5.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.8 t -83.13 105.47 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.8 p -116.31 -33.04 5.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.24 -178.79 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mt -119.37 30.26 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 p -127.48 -52.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.6 p -92.3 -40.3 11.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 52.7 m -50.25 -31.12 13.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.493 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.5 m95 -112.43 35.84 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -86.92 -34.55 19.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 89.5 p -92.09 -47.85 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 133.42 -37.84 1.94 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.538 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.711 HD23 ' OD1' ' A' ' 68' ' ' ASN . 52.5 mt -37.28 -47.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -44.23 -65.47 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.589 HD23 ' HB1' ' A' ' 72' ' ' ALA . 54.9 tp -60.13 -57.51 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.3 m -37.71 -41.13 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.429 ' HB1' ' CZ ' ' A' ' 25' ' ' TYR . . . -59.03 -49.18 78.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.25 -52.33 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.792 ' HB ' HD12 ' A' ' 55' ' ' ILE . 64.0 mt -60.32 -50.65 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -54.71 -44.81 73.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 -42.25 -59.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -73.58 -44.3 57.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HB2' HD12 ' A' ' 54' ' ' LEU . 39.7 mmt180 -131.33 89.41 41.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -11.7 31.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.32 -40.99 42.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 51' ' ' ARG . 47.5 mt -59.84 -45.23 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.792 HD12 ' HB ' ' A' ' 47' ' ' ILE . 73.7 mt -121.27 134.55 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.41 87.25 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -53.03 -48.77 67.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -39.55 -37.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -81.51 -45.38 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.545 HD21 ' CD2' ' A' ' 71' ' ' LEU . 72.4 mt -53.02 119.53 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.6 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 3.9 t30 -99.3 164.96 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 61' ' ' ASN . 29.0 tt0 -69.0 -38.16 79.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.6 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 5.5 t70 -85.1 13.47 6.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -111.73 30.69 6.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.57 -60.85 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.6 t -41.98 -53.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -60.87 -50.37 73.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.711 ' OD1' HD23 ' A' ' 41' ' ' LEU . 16.6 m-80 -46.0 -60.79 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 39' ' ' SER . 84.0 m-20 -55.42 -66.64 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -39.02 -45.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.545 ' CD2' HD21 ' A' ' 60' ' ' LEU . 50.5 tp -58.0 -62.28 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.589 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -46.63 -52.41 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -54.05 -48.73 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -56.78 -45.7 81.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.56 -42.4 96.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.23 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -93.76 -12.93 28.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -93.41 -33.14 13.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -103.87 -55.03 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -84.93 -21.57 29.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.46 34.27 84.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 92.9 mt -100.17 122.6 49.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 124.68 11.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.21 42.06 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.39 -31.35 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.559 HG21 ' SD ' ' A' ' 91' ' ' MET . 15.2 t -138.29 160.65 38.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.3 p -95.4 155.99 16.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.86 -46.31 55.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -55.03 -50.48 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -69.77 -30.72 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.559 ' SD ' HG21 ' A' ' 86' ' ' THR . 7.1 tpt -68.26 -38.51 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.48 -34.79 47.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.9 p -71.68 -51.68 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.39 109.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.33 -54.21 46.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 31.0 tt0 -130.31 96.84 23.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.0 Cg_endo -69.76 177.95 5.06 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.91 126.87 34.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 103' ' ' VAL . 4.5 mtpm? -55.82 -44.22 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -63.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.0 p -44.97 -29.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -79.19 -44.3 22.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 99' ' ' LYS . 83.1 t -66.6 -50.0 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 26.2 ptm -54.03 -36.95 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -76.55 -66.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.7 mt -42.49 -42.27 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t -43.22 -43.74 4.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -49.11 -51.18 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -66.35 -49.18 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.407 ' CZ ' ' HD2' ' A' ' 114' ' ' ARG . 8.5 t80 -50.23 -59.81 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.03 -59.09 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.6 tp -44.43 -62.2 1.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -55.54 -49.67 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 110' ' ' TYR . 14.9 ttt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.914 0.388 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -65.21 -54.26 32.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.6 tp -42.75 -49.35 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.413 ' CD1' HD21 ' A' ' 33' ' ' LEU . 38.3 tp -52.52 -53.0 51.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.8 m -44.13 -51.69 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -54.67 -60.31 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.5 m -48.87 -55.45 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -45.13 -49.53 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' CB ' ' A' ' 23' ' ' GLU . 12.9 mt-30 -60.32 -53.33 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -46.27 -46.45 17.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.9 p -89.64 28.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 17.0 tt0 -78.58 131.23 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 95.62 -42.11 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 11.9 m-85 -37.03 143.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.931 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.87 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.8 mt-30 -88.38 158.22 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 43.51 25.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 26' ' ' GLN . 91.0 t -127.59 95.43 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -111.16 104.3 12.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.1 t -94.38 117.12 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.5 p -126.69 -31.12 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -128.65 -175.61 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 15' ' ' LEU . 8.2 mt -121.45 33.85 5.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 p -132.22 -56.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 p -84.61 -38.97 19.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.584 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 14.8 m -49.49 -34.53 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.476 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 m95 -109.46 36.46 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 ptt85 -89.52 -30.7 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.661 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 4.9 t -91.9 -49.94 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.82 -37.6 1.92 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.752 HD23 ' OD1' ' A' ' 68' ' ' ASN . 41.1 mt -44.39 -38.52 4.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -46.9 -64.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.0 tp -63.84 -47.11 82.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.5 m -49.57 -36.76 24.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.447 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -61.46 -54.9 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.7 mt -50.11 -43.48 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.59 ' HB ' HD12 ' A' ' 55' ' ' ILE . 34.6 mt -68.41 -63.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 2.6 t-80 -45.15 -48.45 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -60.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -71.58 -51.97 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -124.81 89.43 52.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.41 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.81 -17.97 37.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -64.64 -39.22 93.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.646 HD13 ' OE2' ' A' ' 79' ' ' GLU . 29.0 mt -73.66 -43.71 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.893 ' CG2' HD11 ' A' ' 60' ' ' LEU . 67.4 mt -132.39 135.96 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -120.68 93.67 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 41' ' ' LEU . 11.3 t80 -43.76 -60.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -39.56 -36.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.9 m -82.93 -39.45 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.893 HD11 ' CG2' ' A' ' 55' ' ' ILE . 83.5 mt -56.59 104.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 2.3 t-20 -61.58 108.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.565 ' HA ' HD11 ' A' ' 41' ' ' LEU . 4.8 pt-20 -48.47 -29.94 4.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 10.3 t0 -74.38 -31.71 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -80.01 51.62 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.661 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -49.06 -59.82 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t -39.94 -55.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -59.84 -50.68 72.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.752 ' OD1' HD23 ' A' ' 41' ' ' LEU . 9.9 m-80 -42.24 -54.9 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -57.76 -67.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -40.89 -42.27 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.457 ' CD2' HD21 ' A' ' 60' ' ' LEU . 54.9 tp -57.05 -65.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.53 -42.69 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.06 -51.98 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.79 -47.19 83.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.77 -44.34 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -71.3 -32.09 68.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -82.88 -12.44 57.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -101.8 -39.27 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.646 ' OE2' HD13 ' A' ' 54' ' ' LEU . 36.8 mt-10 -89.59 -55.2 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.462 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 15.2 m-85 -82.62 -25.04 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.31 23.3 68.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.475 HG21 ' HD3' ' A' ' 108' ' ' LYS . 56.0 mt -93.17 121.4 65.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.11 17.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.278 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 134.9 29.11 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.9 m -70.84 -37.71 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.8 t -129.76 161.15 31.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLY . 73.7 p -89.18 136.36 33.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.17 -49.3 0.84 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -54.64 -56.21 21.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.48 -42.8 92.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.4 tpt -46.84 -44.81 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.75 -36.96 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -59.87 -61.24 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.41 109.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -55.6 -42.68 75.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -133.88 96.2 16.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 171.83 13.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -76.32 129.17 36.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 100' ' ' LEU . 15.4 ptpt -68.92 -40.63 78.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 3.7 mm? -61.04 -59.7 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.6 m -50.74 -38.39 47.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.448 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -65.08 -47.52 76.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.8 t -62.84 -59.45 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 19.4 ptm -47.09 -42.1 18.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.419 ' N ' ' HG3' ' A' ' 104' ' ' MET . 61.3 t80 -65.03 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.0 mt -47.17 -45.33 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 m -40.49 -41.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' A' ' 82' ' ' ILE . 15.2 mtpt -50.51 -52.49 38.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -65.9 -50.22 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.455 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 30.4 t80 -41.7 -50.26 4.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.38 -45.6 72.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.1 tp -51.2 -53.01 39.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -73.39 -51.64 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 14.3 ttt-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.946 0.403 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -46.71 79.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.8 tp -53.91 -48.56 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.5 tp -42.24 -47.42 4.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.9 m -44.5 -56.13 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -48.24 -55.81 9.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.1 m -53.5 -52.73 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -48.28 -47.43 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -57.06 -53.24 60.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -55.55 -38.84 69.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.5 p -92.73 33.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.87 125.36 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 104.18 -42.58 1.86 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 26.8 m-85 -37.26 150.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -95.92 142.71 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 57.6 29.25 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.813 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.43 92.91 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -108.06 96.38 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.3 t -85.57 108.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.8 p -120.83 -27.99 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -131.91 179.78 5.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.457 HD13 HG22 ' A' ' 103' ' ' VAL . 69.9 mt -116.81 25.48 10.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.5 p -130.88 -44.48 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -92.85 -36.52 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.64 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 75.5 m -63.47 -22.39 66.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.459 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.5 m95 -117.86 32.53 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -84.57 -42.84 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 t -84.05 -40.72 18.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 125.65 -33.35 3.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 40' ' ' GLY . 72.0 mt -37.46 -46.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -46.68 -61.27 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.523 HD23 ' HB1' ' A' ' 72' ' ' ALA . 58.9 tp -63.18 -58.52 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.497 ' HB3' HG21 ' A' ' 55' ' ' ILE . 85.7 m -38.2 -31.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -65.95 -51.53 57.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.3 mt -53.94 -42.22 52.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.526 ' HB ' HD12 ' A' ' 55' ' ' ILE . 50.6 mt -71.97 -63.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -42.29 -45.0 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -41.13 -62.08 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -69.67 -47.24 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 -129.38 89.47 47.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.578 0.704 . . . . 0.0 110.816 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -13.78 35.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.73 -39.5 73.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.2 mt -65.44 -46.6 79.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.98 ' CG2' HD11 ' A' ' 60' ' ' LEU . 66.4 mt -124.85 129.52 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -108.74 84.2 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.755 ' HA ' HD12 ' A' ' 60' ' ' LEU . 9.2 t80 -41.14 -47.35 3.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -38.28 -44.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -79.4 -46.02 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.98 HD11 ' CG2' ' A' ' 55' ' ' ILE . 25.5 mt -50.83 105.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' ND2' ' HB3' ' A' ' 63' ' ' ASP . 1.8 t30 -110.05 146.41 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 4.1 tp10 -39.97 -57.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 38.5 t0 -49.38 -33.54 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 73.9 m-20 -84.17 46.04 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.36 -64.49 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.0 t -39.54 -51.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.88 -45.27 86.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.433 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 98.0 m-20 -52.2 -56.7 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -56.69 -61.28 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -43.23 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.517 ' CD2' HD21 ' A' ' 60' ' ' LEU . 54.1 tp -54.99 -66.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -45.87 -48.21 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -58.01 -45.89 86.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.16 -58.19 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.4 t -53.47 -34.17 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -75.49 -36.25 60.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -80.2 -12.82 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -101.03 -48.31 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.55 ' N ' ' CD ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.09 -55.51 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 4.4 m-85 -82.72 -20.84 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.77 35.37 79.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 75.5 mt -108.04 124.21 35.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 126.04 12.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 132.9 24.29 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.88 -28.55 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.523 HG21 ' SD ' ' A' ' 91' ' ' MET . 8.9 t -137.11 160.45 38.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLY . 76.4 p -94.07 139.95 30.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.17 -50.94 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -53.46 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -50.02 -45.79 52.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.523 ' SD ' HG21 ' A' ' 86' ' ' THR . 8.3 tpt -48.87 -44.34 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.74 -37.41 35.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 m -46.88 -65.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.68 108.6 8.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -43.95 -56.99 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 0.7 OUTLIER -107.89 108.92 61.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.905 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.4 Cg_endo -69.69 -168.5 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 99' ' ' LYS . 14.7 m-20 -90.44 100.26 13.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 98' ' ' ASP . 28.3 ttpt -34.74 -41.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -68.04 -56.27 9.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -49.21 -38.14 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.8 mmm -69.08 -50.84 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.457 HG22 HD13 ' A' ' 33' ' ' LEU . 55.0 t -59.31 -53.91 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 4.0 ptt? -52.4 -40.17 61.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.432 ' N ' ' HG3' ' A' ' 104' ' ' MET . 30.8 t80 -68.83 -48.71 62.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.885 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.411 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 53.7 mt -54.07 -43.4 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 p -40.95 -50.56 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -49.18 -49.98 40.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -68.18 -52.2 37.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.525 ' CE2' ' HD3' ' A' ' 114' ' ' ARG . 35.9 t80 -47.13 -54.22 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.14 -44.86 87.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 tp -44.34 -59.08 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.3 -49.59 68.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.525 ' HD3' ' CE2' ' A' ' 110' ' ' TYR . 12.5 ttp85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.956 0.408 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -43.1 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -45.15 -49.13 12.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD11 HG12 ' A' ' 30' ' ' VAL . 23.2 tp -51.56 -53.59 36.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.3 m -42.49 -55.86 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -53.2 -56.27 17.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.0 m -51.51 -45.58 62.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -54.93 -53.13 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -53.61 -55.93 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -51.76 -51.57 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.437 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 28.7 p -104.15 45.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -92.32 -18.68 23.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.19 26.16 12.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.437 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 17.6 m-85 -97.93 139.96 32.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.407 ' O ' HG23 ' A' ' 28' ' ' VAL . 59.7 mt-30 -76.87 137.94 39.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 60.43 30.02 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 26' ' ' GLN . 92.6 t -128.77 95.97 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -114.15 89.02 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.582 HG12 HD11 ' A' ' 15' ' ' LEU . 78.7 t -72.97 101.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.9 m -109.76 -38.47 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.42 173.58 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 11.6 mt -107.81 32.56 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.6 p -132.28 -57.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.9 p -83.74 -38.45 21.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 18.8 m -59.82 -27.23 66.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.55 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 5.2 m95 -110.87 27.38 9.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -84.14 -37.81 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.491 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 32.2 t -88.8 -45.7 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.91 -32.57 3.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.03 -40.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -52.59 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.08 -54.63 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.406 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 66.9 m -41.33 -40.99 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -58.09 -51.69 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.4 mt -53.24 -53.74 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -55.79 -58.27 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.482 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 5.3 t-80 -47.01 -45.35 21.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -42.6 -64.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -63.81 -50.06 70.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.9 mmt-85 -132.14 90.31 35.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.482 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.75 -8.04 22.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.45 -34.86 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.84 -48.23 55.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.661 ' CG2' HD11 ' A' ' 60' ' ' LEU . 55.2 mt -123.97 139.8 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -118.75 94.89 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.436 ' HA ' HD12 ' A' ' 60' ' ' LEU . 28.9 t80 -48.21 -43.97 32.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.25 -37.15 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.7 t -82.26 -40.48 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.661 HD11 ' CG2' ' A' ' 55' ' ' ILE . 68.1 mt -52.47 118.92 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.2 t30 -102.1 118.41 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -40.48 -49.01 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 13.2 m-20 -59.78 -34.36 72.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' ASN . 29.2 m-20 -82.3 49.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -56.4 -62.0 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ALA . 85.1 t -35.49 -47.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -73.69 -45.83 50.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -49.46 -58.41 5.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' GLN . 81.2 m-20 -56.98 -69.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' ASN . 5.2 mm-40 -36.43 -41.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 75' ' ' VAL . 59.0 tp -60.21 -58.61 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.21 -43.99 67.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.98 -51.43 69.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -59.83 -43.75 94.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 71' ' ' LEU . 81.9 t -61.42 -35.51 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -80.1 -36.06 35.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -78.25 -16.41 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -98.14 -37.21 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -93.22 -55.31 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 14.1 m-85 -82.74 -23.11 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.04 33.91 65.11 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.4 mt -105.6 118.82 54.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 122.98 9.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.484 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 53.6 Cg_endo -69.79 136.8 33.83 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.628 2.219 . . . . 0.0 112.337 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.3 m -69.17 -28.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.463 HG21 ' SD ' ' A' ' 91' ' ' MET . 7.3 t -135.82 160.09 39.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.2 p -96.53 133.71 40.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.21 -47.76 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -48.37 -53.81 16.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -71.7 -46.37 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.463 ' SD ' HG21 ' A' ' 86' ' ' THR . 10.9 tpt -41.29 -43.31 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.27 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -56.5 -59.17 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.28 112.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -51.09 -59.63 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -121.82 96.35 47.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.79 20.54 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.68 132.62 36.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.553 ' HG3' HD22 ' A' ' 100' ' ' LEU . 9.9 ptmm? -68.97 -45.8 69.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.553 HD22 ' HG3' ' A' ' 99' ' ' LYS . 4.3 mm? -51.12 -62.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.2 t -51.11 -34.23 29.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -68.95 -50.31 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 104' ' ' MET . 93.2 t -59.38 -63.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 15.2 ptp -37.47 -38.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.484 ' CE1' ' HA ' ' A' ' 84' ' ' PRO . 71.9 t80 -76.91 -61.04 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.478 HD21 ' CE3' ' A' ' 37' ' ' TRP . 42.6 mt -39.08 -46.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -43.41 -46.74 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -38.47 -50.57 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.0 -51.46 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.418 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 63.9 t80 -40.39 -46.36 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -73.41 -44.38 58.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.4 tp -49.61 -57.46 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -68.59 -47.5 66.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 65.1 ttp85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.967 0.413 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -59.26 -41.85 89.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.17 -58.22 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.73 -48.13 15.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.2 m -45.97 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -46.81 -52.55 13.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.1 m -58.08 -44.18 87.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -58.58 -37.1 75.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -68.15 -47.7 67.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -60.69 -49.34 77.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 19.3 p -65.6 -40.64 92.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' THR . 47.0 tt0 -35.73 129.65 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.54 -44.27 1.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -53.13 171.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.82 ' O ' HG23 ' A' ' 28' ' ' VAL . 35.7 mt-30 -108.33 153.79 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 47.14 26.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 26' ' ' GLN . 87.0 t -124.45 95.62 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 12.2 p-10 -112.06 102.95 11.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -90.19 111.11 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.1 p -120.13 -35.5 3.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -125.69 -179.38 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -118.74 25.98 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -130.23 -38.71 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.6 p -99.59 -37.95 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -56.2 -32.82 64.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.455 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.3 m95 -106.96 32.74 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -86.07 -37.41 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.427 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 25.2 t -89.61 -41.27 12.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 127.88 -36.93 2.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.865 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 70.0 mt -35.29 -52.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.46 -61.06 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.46 -59.7 4.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.3 m -42.48 -35.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.1 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.38 -55.34 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.583 ' HB ' HD12 ' A' ' 55' ' ' ILE . 21.8 mt -64.08 -56.57 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -43.48 -35.69 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.6 tpt85 -63.76 -64.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -62.29 -55.11 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -125.14 89.47 52.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -23.63 30.29 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.22 -32.82 72.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 55.0 mt -76.46 -48.08 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.583 HD12 ' HB ' ' A' ' 47' ' ' ILE . 63.5 mt -123.58 125.4 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 87.35 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.865 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 22.1 t80 -37.79 -42.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -35.96 -44.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -78.87 -43.53 24.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 57' ' ' PHE . 58.4 mt -51.27 101.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.8 t30 -94.52 139.25 31.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.506 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 21.5 mt-10 -38.65 -58.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.28 -24.78 67.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.5 m-20 -78.92 44.79 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -62.57 -56.68 15.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.8 t -47.93 -47.39 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.07 -46.94 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 48.4 m-20 -57.79 -58.87 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -49.84 -59.5 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.43 -44.77 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.61 -67.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.49 -37.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' HD1' ' HH ' ' A' ' 105' ' ' TYR . 23.8 m-85 -71.8 -54.02 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -51.04 -45.41 61.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.17 -34.71 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -65.61 -33.85 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -90.18 -12.18 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -94.31 -35.82 12.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.26 -55.05 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 5.2 m-85 -84.75 -23.35 29.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 69.07 34.72 76.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 87.6 mt -102.66 126.05 34.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 133.68 26.07 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 156.18 64.23 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.688 2.259 . . . . 0.0 112.393 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.5 m -98.51 -32.88 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.428 HG21 ' SD ' ' A' ' 91' ' ' MET . 8.0 t -135.33 162.01 33.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.6 p -92.35 136.58 33.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -38.35 -48.3 2.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -52.91 -58.57 6.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -59.11 -43.05 91.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.428 ' SD ' HG21 ' A' ' 86' ' ' THR . 8.1 tpt -46.75 -44.74 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.65 -37.68 24.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -61.19 -62.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.13 114.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -62.2 -45.16 94.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -128.03 96.4 31.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.7 6.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.315 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.87 107.55 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.623 ' HD2' HD22 ' A' ' 100' ' ' LEU . 12.2 tmtt? -48.45 -54.45 14.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.623 HD22 ' HD2' ' A' ' 99' ' ' LYS . 4.3 mm? -52.79 -58.08 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.7 m -48.69 -33.77 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 36.4 mmm -74.62 -49.35 21.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.03 -39.96 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 22.9 ptm -70.77 -44.28 67.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.538 ' HH ' ' HD1' ' A' ' 73' ' ' PHE . 92.7 t80 -62.04 -44.61 96.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.04 -45.82 91.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.7 t -39.94 -42.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -51.12 -49.06 61.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -71.95 -44.29 63.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.466 ' CE1' ' HD2' ' A' ' 114' ' ' ARG . 24.5 t80 -52.54 -57.51 9.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -60.43 -56.43 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 tp -46.78 -53.76 11.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -62.88 -51.4 67.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.466 ' HD2' ' CE1' ' A' ' 110' ' ' TYR . 12.0 ttt85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -57.3 -47.94 80.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -47.45 -56.98 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.4 tp -48.59 -64.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.5 m -39.22 -58.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -45.8 -56.63 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.1 m -56.4 -49.48 74.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -50.2 -52.61 34.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -56.47 -58.22 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' O ' ' NH2' ' A' ' 49' ' ' ARG . 95.4 mm-40 -53.12 -36.24 60.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.418 ' CG2' HG13 ' A' ' 46' ' ' ILE . 42.2 p -110.15 40.65 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.37 -20.46 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.34 -28.55 30.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.958 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 13.3 m-85 -53.37 164.2 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -99.27 138.94 35.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 59.73 33.78 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 25' ' ' TYR . 96.9 t -121.33 96.95 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -108.97 87.56 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.57 112.18 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -122.09 -32.59 3.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.44 179.98 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.479 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 6.7 mt -117.25 33.42 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -132.79 -60.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -86.01 -36.95 19.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.2 m -56.16 -32.76 64.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.479 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 3.3 m95 -108.56 30.13 6.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -82.52 -37.82 24.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.573 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 97.6 p -80.21 -46.75 15.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.496 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 126.32 -43.95 1.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' GLY . 73.1 mt -35.21 -41.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.02 -68.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.6 -51.82 68.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -41.52 -34.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.958 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -66.03 -59.8 3.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.418 HG13 ' CG2' ' A' ' 22' ' ' THR . 90.2 mt -42.82 -56.67 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.524 ' HB ' HD12 ' A' ' 55' ' ' ILE . 59.8 mt -55.91 -63.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 4.5 t-80 -38.65 -46.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 21' ' ' GLN . 7.9 tpp85 -40.15 -59.94 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.724 ' CD1' ' CE1' ' A' ' 113' ' ' PHE . 82.9 m-85 -71.59 -49.1 43.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.5 mpt_? -126.51 89.4 52.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.503 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.75 -13.47 34.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -76.66 -39.19 52.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 51' ' ' ARG . 25.5 mt -63.93 -40.91 97.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.524 HD12 ' HB ' ' A' ' 47' ' ' ILE . 75.6 mt -131.3 139.0 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.438 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 0.2 OUTLIER -115.57 80.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.736 ' HA ' HD12 ' A' ' 60' ' ' LEU . 3.7 t80 -41.83 -63.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -39.15 -38.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.438 ' HB3' ' ND2' ' A' ' 56' ' ' ASN . 15.0 t -77.36 -37.38 52.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 57' ' ' PHE . 74.6 mt -53.27 102.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.69 120.42 11.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 6.0 pt-20 -46.96 -35.14 6.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 4.7 t70 -77.55 -34.97 53.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.58 49.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -56.83 -53.05 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.481 HG13 ' CA ' ' A' ' 89' ' ' LYS . 92.4 t -45.58 -57.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.53 -50.91 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -52.07 -45.9 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.496 ' OD1' ' CA ' ' A' ' 40' ' ' GLY . 77.4 m-20 -58.36 -62.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -42.08 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 tp -54.27 -63.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.62 -45.39 57.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.07 -42.6 98.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.27 -57.17 11.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.9 t -50.32 -50.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.426 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -53.44 -32.98 52.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.044 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -87.31 -12.44 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -93.07 -32.0 14.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.62 -54.2 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 8.1 m-85 -85.06 -22.91 28.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.51 34.05 67.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.0 mt -101.0 117.44 62.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.08 22.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.56 45.53 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -80.56 -29.96 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.9 t -137.88 160.31 39.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 20.3 p -89.36 133.88 34.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.37 -57.08 1.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.481 ' CA ' HG13 ' A' ' 66' ' ' VAL . 7.0 ttmt -45.65 -54.87 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.704 0.288 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -61.1 -38.32 85.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.0 tpt -51.79 -38.4 55.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.32 -36.64 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m -60.62 -66.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.5 121.31 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 16.1 pt20 -62.65 -47.1 85.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 7.4 tt0 -134.98 103.89 10.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.687 0.755 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.5 Cg_endo -69.79 -179.91 3.25 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 99' ' ' LYS . 1.7 m-20 -81.94 102.28 10.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.47 ' O ' HG23 ' A' ' 103' ' ' VAL . 11.5 tmtt? -34.52 -45.65 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.97 -67.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -39.03 -39.06 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.1 mmm -70.57 -57.88 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 99' ' ' LYS . 75.8 t -53.64 -56.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 15.6 ptp -46.71 -32.15 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -82.57 -45.44 14.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.81 -52.33 65.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.7 p -39.14 -50.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -38.4 -46.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -73.3 -48.89 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -40.55 -59.91 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -60.54 -49.36 77.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.2 tp -46.3 -57.24 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.724 ' CE1' ' CD1' ' A' ' 50' ' ' PHE . 35.9 m-85 -67.66 -52.04 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 113' ' ' PHE . 20.5 tpt180 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.941 0.401 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -59.47 -50.92 72.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.3 tp -46.78 -49.58 19.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -53.86 -47.95 70.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.3 m -55.62 -60.82 2.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.434 ' CZ3' ' HA ' ' A' ' 110' ' ' TYR . 89.9 t90 -50.85 -40.89 57.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.97 -43.98 90.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.71 -44.24 90.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -59.87 -60.15 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -46.88 -54.74 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -63.83 -35.62 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -40.02 141.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.34 -41.96 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 14.8 m-85 -52.85 161.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 28' ' ' VAL . 12.9 pt20 -97.01 145.39 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 51.05 35.76 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 26' ' ' GLN . 56.4 t -127.2 96.8 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -111.36 104.42 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -95.82 110.27 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.5 p -119.98 -36.32 3.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -122.02 -176.81 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 mt -117.59 14.45 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -118.23 -40.56 2.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.1 p -99.53 -37.99 8.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -51.45 -32.18 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.43 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 2.9 m95 -108.72 31.38 5.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -86.13 -37.91 18.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.5 t -82.9 -47.7 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 129.66 -41.74 1.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.771 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 77.7 mt -34.36 -43.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.91 -60.89 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.637 HD23 ' HB1' ' A' ' 72' ' ' ALA . 49.8 tp -62.06 -60.49 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 94.4 m -42.39 -45.14 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -51.79 -49.54 62.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -57.64 -47.04 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.563 ' HB ' HD12 ' A' ' 55' ' ' ILE . 55.9 mt -64.09 -62.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -45.33 -44.1 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -40.31 -62.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -73.35 -48.25 35.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -122.94 89.48 50.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -19.45 35.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.232 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.14 -42.61 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.5 mt -59.02 -48.55 81.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.563 HD12 ' HB ' ' A' ' 47' ' ' ILE . 79.9 mt -125.73 139.73 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 59' ' ' SER . 5.4 t30 -118.34 95.44 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.771 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 17.9 t80 -45.37 -52.57 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -38.3 -29.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.463 ' HB2' ' ND2' ' A' ' 56' ' ' ASN . 29.1 t -85.52 -45.98 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.596 HD21 HD23 ' A' ' 71' ' ' LEU . 30.5 mt -50.45 118.06 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -106.61 119.3 38.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' ASN . 17.4 tt0 -37.44 -50.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -37.26 79.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 61' ' ' ASN . 12.9 m-20 -79.7 49.38 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' VAL . . . -52.33 -61.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' ALA . 98.9 t -37.39 -59.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -57.91 -51.42 69.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -44.52 -56.74 4.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.456 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 73.3 m-80 -58.4 -60.09 4.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -41.31 -42.87 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.596 HD23 HD21 ' A' ' 60' ' ' LEU . 59.2 tp -57.73 -61.82 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.637 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -49.18 -46.29 45.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.091 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 23.7 m-85 -61.51 -47.51 85.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -58.96 -46.91 86.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.8 t -63.08 -35.73 72.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -65.29 -36.17 83.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -92.49 -12.02 33.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -92.61 -34.89 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.86 -55.02 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.588 ' CD1' HD21 ' A' ' 112' ' ' LEU . 19.7 m-85 -86.23 -24.38 26.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 73.45 32.51 59.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.4 mt -96.64 123.09 55.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.429 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 54.0 Cg_endo -69.76 132.17 22.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 105' ' ' TYR . 27.1 m -65.13 -35.5 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.3 t -137.9 158.05 45.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 88' ' ' GLY . 28.0 p -95.48 143.07 27.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.9 -46.14 0.61 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -57.93 -64.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.73 0.3 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -53.33 -35.26 60.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -55.67 -58.25 8.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.55 87.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 t -59.95 -59.63 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.1 112.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -57.36 -57.49 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -122.81 97.87 43.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 165.69 30.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -75.1 143.15 43.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.703 ' O ' HG23 ' A' ' 103' ' ' VAL . 11.1 ptpp? -83.5 -38.57 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -49.17 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -62.78 -41.82 99.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.3 mmt -63.81 -47.63 80.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 99' ' ' LYS . 93.0 t -63.31 -58.14 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -51.72 -39.35 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.433 ' CD1' HG13 ' A' ' 85' ' ' VAL . 87.2 t80 -71.05 -50.59 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.425 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 38.0 mt -57.07 -44.55 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -40.94 -46.66 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -43.66 -53.04 6.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -66.7 -52.05 49.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.434 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 4.5 t80 -44.36 -57.39 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -64.74 -48.55 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 80' ' ' PHE . 59.1 tp -45.76 -48.43 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -77.12 -45.28 27.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.891 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.895 0.379 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -58.49 -56.6 19.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 tp -48.12 -46.22 33.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.8 tp -49.48 -45.91 47.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -53.11 -55.21 25.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -49.88 -52.46 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.9 m -58.33 -50.07 74.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -56.98 -34.01 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -67.34 -51.44 52.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -57.46 -51.17 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.1 p -65.13 -35.31 80.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -38.44 126.14 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.82 -39.61 2.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -53.9 169.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.74 ' O ' HG23 ' A' ' 28' ' ' VAL . 34.0 mt-30 -102.1 149.13 24.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.4 m170 45.23 34.4 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 26' ' ' GLN . 73.3 t -125.8 97.9 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -116.34 107.85 15.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.8 t -98.88 110.98 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.7 p -122.29 -37.65 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.34 140.24 52.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mt -83.78 37.81 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.1 p -134.82 -46.95 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 p -101.64 -21.86 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.552 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 28.0 p -67.45 -14.89 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CD1' ' OG ' ' A' ' 36' ' ' SER . 16.0 m95 -115.34 5.72 14.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -65.34 -40.84 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -76.99 -39.97 48.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.92 -39.72 2.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -38.63 -40.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -49.26 -61.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.473 HD23 ' HB1' ' A' ' 72' ' ' ALA . 34.9 tp -62.64 -48.72 78.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.405 ' HB3' HG21 ' A' ' 55' ' ' ILE . 61.3 m -50.01 -40.65 45.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.94 -47.05 87.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.7 mt -59.88 -48.28 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.29 -62.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 2.2 t-80 -47.2 -44.59 22.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -41.02 -63.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -69.47 -45.84 68.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -128.39 89.49 49.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 54.5 Cg_endo -69.75 -8.13 22.82 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -76.5 -40.28 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 62.3 mt -63.2 -46.56 86.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.697 ' CG2' HD11 ' A' ' 60' ' ' LEU . 78.2 mt -127.18 143.52 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -118.61 93.33 4.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.619 ' HA ' HD12 ' A' ' 60' ' ' LEU . 10.4 t80 -47.33 -57.91 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.04 -31.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -86.0 -40.61 15.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.697 HD11 ' CG2' ' A' ' 55' ' ' ILE . 61.0 mt -53.33 114.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 1.3 t30 -95.77 121.26 37.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 63' ' ' ASP . 2.2 pm0 -46.19 -47.32 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 1.5 m-20 -58.78 -27.94 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -90.65 43.77 1.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.48 -51.44 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.2 t -45.13 -54.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -64.94 -49.65 69.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 88.7 m-20 -47.04 -52.16 15.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -60.89 -62.09 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.03 -48.13 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.496 HD23 HD21 ' A' ' 60' ' ' LEU . 51.3 tp -53.0 -63.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.473 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -46.29 -50.5 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -54.39 -52.06 62.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.26 -54.17 48.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.8 t -50.53 -37.33 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.79 81.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -92.11 -12.17 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -93.35 -34.75 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -102.21 -55.28 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -85.12 -24.02 28.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.32 23.13 74.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 90.5 mt -87.42 124.94 67.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.33 15.84 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 157.15 61.43 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.2 m -99.32 -34.16 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.8 t -136.61 167.24 21.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 22.2 p -103.79 139.19 39.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.0 -49.3 1.47 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -56.53 -61.04 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -54.16 -32.35 55.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -51.07 50.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.89 -6.72 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -94.32 -49.03 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.6 116.87 10.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -64.29 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 9.5 tt0 -136.6 104.93 9.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.634 0.731 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.5 Cg_endo -69.76 175.9 7.49 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 99' ' ' LYS . 9.0 t0 -78.56 104.36 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.468 ' O ' HG23 ' A' ' 103' ' ' VAL . 38.1 mtmt -34.37 -41.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.484 ' C ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -67.21 -65.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LEU . 38.8 t -36.96 -45.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.444 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -62.1 -56.41 19.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 99' ' ' LYS . 76.6 t -54.63 -62.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.422 ' HE3' ' HG ' ' A' ' 100' ' ' LEU . 17.4 ptp -41.47 -28.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -82.05 -56.75 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.506 HD22 ' CH2' ' A' ' 37' ' ' TRP . 20.5 mt -52.95 -44.36 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -39.83 -50.32 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -50.5 -47.24 57.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -68.52 -56.26 8.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -41.73 -56.04 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -67.98 -46.17 72.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.8 tp -46.0 -55.63 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -80.38 -50.28 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -52.81 -51.44 60.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -49.44 -52.69 27.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD21 ' O ' ' A' ' 31' ' ' THR . 45.3 tp -53.59 -42.44 67.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -59.8 -49.5 77.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.196 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -58.44 -44.28 89.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.7 m -65.83 -47.71 74.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -51.88 -40.96 61.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -63.28 -53.54 51.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -58.69 -47.86 83.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.439 HG21 HG21 ' A' ' 30' ' ' VAL . 8.1 p -67.82 -31.74 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.148 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -44.41 136.26 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.95 -41.38 2.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -57.34 155.05 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.9 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.404 ' O ' HG23 ' A' ' 28' ' ' VAL . 10.1 mm-40 -94.55 143.94 26.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 57.01 32.92 22.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 26' ' ' GLN . 79.6 t -128.87 96.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -110.68 105.72 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.439 HG21 HG21 ' A' ' 22' ' ' THR . 98.7 t -101.81 104.59 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.455 ' O ' HD21 ' A' ' 15' ' ' LEU . 35.5 p -118.69 -35.54 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -121.77 178.94 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 9.6 mt -118.46 34.03 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.98 -54.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.9 p -86.85 -39.36 15.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -56.05 -28.43 57.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.495 ' CZ3' HD22 ' A' ' 106' ' ' LEU . 4.6 m95 -110.08 27.59 9.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -82.5 -37.02 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.441 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 12.9 t -86.9 -45.65 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 128.63 -37.02 2.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' GLY . 54.3 mt -36.12 -51.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.35 -65.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.37 -56.68 18.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.1 m -40.25 -42.11 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.17 86.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.86 -49.22 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.521 ' HB ' HD12 ' A' ' 55' ' ' ILE . 66.5 mt -64.22 -62.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.45 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 5.0 t-80 -41.16 -46.39 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.0 tpt85 -40.73 -63.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.425 ' C ' ' HD2' ' A' ' 51' ' ' ARG . 93.0 m-85 -63.4 -52.33 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HD2' ' C ' ' A' ' 50' ' ' PHE . 7.3 mpt_? -130.39 92.32 35.79 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.75 -8.09 22.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.31 -40.32 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 mt -66.19 -57.97 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.846 ' CG2' HD11 ' A' ' 60' ' ' LEU . 67.3 mt -113.35 137.81 45.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -117.46 84.18 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.588 ' HA ' HD12 ' A' ' 60' ' ' LEU . 6.6 t80 -42.0 -52.57 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 57' ' ' PHE . 6.6 m-20 -37.5 -41.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.6 t -80.99 -44.78 17.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.846 HD11 ' CG2' ' A' ' 55' ' ' ILE . 51.2 mt -50.84 117.41 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.9 t30 -111.1 141.88 44.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.498 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 12.2 mt-10 -42.42 -55.44 3.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.65 -32.75 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 4.2 m-20 -86.21 42.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -62.0 -49.52 75.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.73 -50.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -65.76 -48.33 72.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 90.5 m-20 -48.89 -58.29 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -51.79 -61.06 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -44.86 -47.93 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.8 tp -53.78 -64.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.21 -48.43 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -59.1 -50.13 75.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -58.17 -56.16 25.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -50.71 -40.63 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -69.07 -31.61 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -83.26 -13.65 54.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -99.42 -33.74 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.16 -55.14 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -84.4 -21.35 30.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 69.35 33.76 73.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.717 HD12 ' CE1' ' A' ' 109' ' ' PHE . 62.5 mt -102.2 116.87 62.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.4 11.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.318 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.546 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 53.2 Cg_endo -69.81 138.38 37.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.295 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.16 -27.56 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.483 HG21 ' SD ' ' A' ' 91' ' ' MET . 9.0 t -135.63 153.78 51.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLY . 73.0 p -95.68 139.69 31.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.73 -51.01 0.78 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -48.29 -59.15 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.25 -48.19 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.483 ' SD ' HG21 ' A' ' 86' ' ' THR . 10.8 tpt -48.18 -42.04 28.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.11 -38.68 24.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -60.52 -60.32 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.34 114.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -55.64 -51.88 65.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 18.1 tt0 -132.28 99.81 15.84 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.9 Cg_endo -69.71 179.61 3.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.06 126.34 35.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.778 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -60.41 -30.37 69.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.58 HD22 ' HG2' ' A' ' 99' ' ' LYS . 3.4 mm? -67.49 -56.73 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.1 p -53.95 -38.08 64.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 51.5 mmm -70.58 -54.15 13.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 99' ' ' LYS . 95.0 t -55.84 -50.98 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 19.7 ptm -54.61 -37.86 66.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.546 ' CE1' ' HA ' ' A' ' 84' ' ' PRO . 60.6 t80 -73.66 -64.69 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.495 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 9.1 mt -46.75 -44.56 19.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.1 m -44.49 -46.0 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -47.28 -40.25 16.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.717 ' CE1' HD12 ' A' ' 82' ' ' ILE . 46.3 m-85 -77.13 -49.42 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -43.03 -53.38 4.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.67 -52.48 30.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.2 tp -43.93 -48.73 8.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -72.49 -50.71 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.973 0.416 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -77.45 -43.17 33.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 tp -53.39 -51.44 62.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 tp -47.52 -47.55 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.6 m -52.58 -49.7 64.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -55.46 -57.23 12.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.9 m -55.87 -40.03 72.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -63.47 -43.85 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -60.4 -48.35 82.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.18 -49.55 75.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.542 HG21 HG21 ' A' ' 30' ' ' VAL . 25.4 p -67.35 -26.86 66.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -48.19 144.6 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.04 -41.26 2.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.96 162.33 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.956 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' ' 28' ' ' VAL . 36.2 mt-30 -97.9 154.84 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 43.5 27.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 26' ' ' GLN . 53.8 t -123.34 93.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -110.83 109.38 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.542 HG21 HG21 ' A' ' 22' ' ' THR . 91.9 t -103.53 100.68 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.3 p -112.1 -34.75 5.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -125.04 179.64 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.549 HD13 HG22 ' A' ' 103' ' ' VAL . 40.6 mt -116.14 25.25 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 p -124.61 -62.05 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.3 p -81.61 -43.33 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -48.98 -37.91 21.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 5.2 m95 -102.26 31.82 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -87.2 -36.94 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -79.9 -40.15 28.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.23 21.26 10.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 62' ' ' GLU . 70.5 mt -94.75 -40.01 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.8 -51.17 66.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.526 HD23 ' CB ' ' A' ' 72' ' ' ALA . 63.4 tp -60.19 -50.63 72.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.4 m -51.31 -41.71 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.68 83.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.53 -51.5 71.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.747 ' HB ' HD12 ' A' ' 55' ' ' ILE . 16.5 mt -65.19 -55.62 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -49.62 -49.46 46.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -40.08 -56.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -73.02 -48.61 34.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -127.35 89.82 50.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.77 29.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -75.25 -36.98 61.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.35 -43.6 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.747 HD12 ' HB ' ' A' ' 47' ' ' ILE . 76.1 mt -128.0 135.19 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -117.55 93.22 4.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LEU . 34.5 t80 -44.48 -55.66 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PHE . 11.8 m-20 -36.01 -37.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -81.27 -41.8 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.496 HD21 HD23 ' A' ' 71' ' ' LEU . 64.9 mt -52.46 119.86 4.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.2 t30 -105.94 118.93 37.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HA ' HD11 ' A' ' 41' ' ' LEU . 29.9 tt0 -41.16 -48.77 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -33.67 71.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' ASN . 46.3 m-20 -84.99 46.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.58 -60.92 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.062 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.548 HG11 ' HE3' ' A' ' 89' ' ' LYS . 98.1 t -39.91 -46.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.46 -44.53 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -56.61 -59.28 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -52.78 -61.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.85 -45.63 7.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.496 HD23 HD21 ' A' ' 60' ' ' LEU . 64.5 tp -54.71 -68.92 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.526 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -39.66 -44.89 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -63.05 -53.62 50.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -55.15 -44.46 75.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.56 -41.32 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -71.75 -31.71 66.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -83.45 -13.05 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -101.55 -34.92 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -93.76 -55.01 3.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.458 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 10.9 m-85 -83.55 -22.0 32.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.73 31.78 60.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.8 mt -103.49 122.32 45.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 128.79 16.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 144.62 54.44 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.2 m -85.28 -30.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.5 t -136.77 154.95 50.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.0 p -95.94 138.64 33.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.9 -48.54 1.38 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.548 ' HE3' HG11 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -46.22 -53.3 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.9 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.26 -41.42 66.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.1 tpt -50.79 -39.11 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.34 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 m -61.78 -59.07 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.17 125.34 15.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -68.3 -56.44 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 36.4 tt0 -124.24 97.24 40.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.657 0.741 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.5 Cg_endo -69.8 173.18 11.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.254 . . . . 0.0 112.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.35 124.34 27.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.684 ' HG3' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -65.97 -26.37 67.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.684 HD22 ' HG3' ' A' ' 99' ' ' LYS . 3.2 mm? -72.14 -55.34 7.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.4 t -57.28 -29.93 64.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 47.1 mmm -79.07 -53.05 7.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 99' ' ' LYS . 54.8 t -57.63 -40.49 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.431 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 3.6 ptt? -66.39 -41.16 89.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.431 ' N ' ' HG3' ' A' ' 104' ' ' MET . 56.8 t80 -67.44 -53.77 26.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 71.5 mt -50.53 -47.12 57.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.3 m -44.12 -34.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -49.0 -50.01 38.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -77.81 -50.51 12.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -39.45 -49.21 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.1 -54.11 16.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.3 tp -45.39 -50.66 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -76.2 -52.1 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.95 0.405 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -93.31 -26.22 17.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' HG13 ' A' ' 103' ' ' VAL . 29.2 tp -66.63 -40.77 88.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.4 tp -52.91 -54.15 38.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.5 m -45.54 -60.07 2.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -42.84 -57.63 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 70.7 m -52.07 -57.4 9.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -47.65 -43.24 26.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.74 -53.26 57.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -53.86 -44.53 70.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.1 p -83.85 21.3 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -82.55 129.96 35.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.66 -45.44 1.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -48.46 148.29 2.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 28' ' ' VAL . 10.5 mt-30 -94.91 151.55 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 58.35 25.48 12.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 26' ' ' GLN . 85.5 t -127.9 99.15 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -115.22 103.85 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.56 107.76 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.6 p -118.99 -25.47 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -132.98 -175.1 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.553 HD13 HG22 ' A' ' 103' ' ' VAL . 10.6 mt -120.6 29.98 7.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -127.43 -70.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -82.0 -29.49 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 30.2 m -58.81 -15.38 12.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 6.1 m95 -124.54 29.72 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -89.78 -35.47 15.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.2 t -76.37 -36.22 58.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.39 -20.75 32.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.657 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 38.3 mt -62.98 -14.76 51.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -73.55 -59.9 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.4 tp -69.95 -44.51 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 72' ' ' ALA . 74.4 m -53.71 -30.97 46.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.5 -48.13 67.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.53 HG22 ' CE2' ' A' ' 113' ' ' PHE . 65.9 mt -58.59 -39.46 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.8 mt -72.85 -51.87 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -67.53 -15.57 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -75.93 -56.64 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.709 ' CE1' ' CG ' ' A' ' 51' ' ' ARG . 1.2 p90 -79.87 -38.88 31.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.709 ' CG ' ' CE1' ' A' ' 50' ' ' PHE . 7.2 mmp_? -135.0 89.56 23.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -23.81 30.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.98 -27.82 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.706 HD22 ' HG3' ' A' ' 79' ' ' GLU . 18.2 mt -82.74 -47.54 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' ' 72' ' ' ALA . 4.8 mt -130.92 149.2 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' ND2' ' HB2' ' A' ' 59' ' ' SER . 0.2 OUTLIER -130.92 100.87 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.657 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 7.6 t80 -48.42 -41.98 30.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -43.93 -45.39 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.407 ' HB2' ' ND2' ' A' ' 56' ' ' ASN . 74.4 m -79.76 -21.61 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 57' ' ' PHE . 81.4 mt -71.91 118.08 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.3 t30 -102.8 120.82 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -43.99 -48.37 8.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -59.52 -30.17 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ASN . 6.3 m-20 -85.52 59.37 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.813 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.66 80.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -52.25 -53.13 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -67.28 -45.44 76.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -50.69 -58.1 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.475 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 74.0 m-80 -55.01 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -40.28 -47.65 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.541 HD23 HD21 ' A' ' 60' ' ' LEU . 57.4 tp -53.5 -68.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -41.96 -50.16 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 14.8 m-30 -57.45 -48.57 78.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -58.8 -44.82 90.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.9 t -58.03 -37.44 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' PHE . . . -65.59 -59.66 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -65.2 -14.4 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.8 ttt85 -89.83 -37.51 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.706 ' HG3' HD22 ' A' ' 54' ' ' LEU . 27.0 mm-40 -105.23 -53.64 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.568 ' CD1' HD21 ' A' ' 112' ' ' LEU . 6.1 m-85 -82.58 -15.49 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 70.23 4.17 49.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.452 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.869 HD13 ' HB3' ' A' ' 108' ' ' LYS . 53.9 mt -74.07 120.89 83.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 111.127 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.24 35.02 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.27 69.17 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.356 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.594 HG13 ' CD1' ' A' ' 105' ' ' TYR . 21.9 m -98.25 -29.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -138.28 154.84 49.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 80.8 p -89.25 132.77 34.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.46 -47.74 1.61 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -55.23 -61.32 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.713 0.292 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.32 -42.39 73.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -47.51 -56.76 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.75 61.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -57.92 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.33 107.89 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -51.97 -65.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.38 99.05 48.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.695 0.759 . . . . 0.0 110.834 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -176.26 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -82.71 116.67 22.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.772 ' O ' HG23 ' A' ' 103' ' ' VAL . 55.8 mttm -43.33 -36.93 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 102' ' ' MET . 1.4 mm? -67.63 -67.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' LEU . 34.7 m -36.72 -30.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.58 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.0 OUTLIER -81.71 -49.15 10.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 99' ' ' LYS . 58.3 t -62.58 -49.47 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 10.7 ptp -53.38 -36.29 61.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.594 ' CD1' HG13 ' A' ' 85' ' ' VAL . 28.3 t80 -75.15 -40.97 59.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.0 mt -63.07 -26.72 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.1 m -60.13 -42.02 93.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.869 ' HB3' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -54.45 -40.02 67.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -81.22 -55.52 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -39.68 -49.77 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -68.56 -42.79 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.568 HD21 ' CD1' ' A' ' 80' ' ' PHE . 13.2 tp -55.55 -44.89 77.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.53 ' CE2' HG22 ' A' ' 46' ' ' ILE . 3.4 m-85 -73.34 -52.44 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.906 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.958 0.409 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.46 -54.97 18.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.832 HD22 HG13 ' A' ' 103' ' ' VAL . 38.9 tp -44.56 -56.69 4.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 tp -49.94 -52.34 34.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -39.46 -60.81 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 47.6 t90 -51.84 -61.54 2.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.434 ' O ' HG23 ' A' ' 22' ' ' THR . 70.9 m -45.34 -42.35 9.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -69.12 -43.02 75.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -60.21 -50.41 73.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 4.2 mm100 -64.24 -47.53 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 18' ' ' CYS . 39.7 p -64.54 -35.03 79.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -39.54 137.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.34 -44.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -49.8 144.64 6.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -84.41 138.68 32.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 m170 61.73 26.39 16.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -126.97 92.46 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -108.84 85.12 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG21 HG21 ' A' ' 22' ' ' THR . 64.8 t -75.8 106.53 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 38.8 p -117.33 -33.97 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -122.03 -177.84 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 20.9 mt -117.06 14.11 14.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 p -117.17 -60.9 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -77.32 -46.1 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -48.15 -34.49 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.549 ' CZ3' ' CD2' ' A' ' 106' ' ' LEU . 1.4 m95 -109.46 36.13 3.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -85.39 -39.06 18.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.597 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 12.4 t -87.89 -41.54 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 128.88 -36.06 2.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' GLY . 62.5 mt -36.08 -53.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.47 -61.28 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.3 tp -64.94 -46.94 79.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 83.8 m -50.77 -34.12 26.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.34 -48.37 81.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -57.54 -50.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.464 ' HB ' HD12 ' A' ' 55' ' ' ILE . 77.8 mt -59.92 -58.79 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -50.5 -43.82 55.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.9 tpt85 -41.56 -63.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CD1' ' CE1' ' A' ' 113' ' ' PHE . 78.0 m-85 -70.03 -48.44 57.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -128.9 89.47 48.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.709 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -13.97 35.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.65 2.233 . . . . 0.0 112.401 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.14 -36.0 71.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.0 mt -67.56 -44.74 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.569 ' CG2' HD11 ' A' ' 60' ' ' LEU . 56.7 mt -130.2 133.05 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -111.75 96.63 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.76 ' HA ' HD12 ' A' ' 60' ' ' LEU . 4.8 t80 -47.3 -48.51 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -45.28 -36.11 3.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.5 t -83.58 -37.39 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 57' ' ' PHE . 72.8 mt -52.82 118.58 3.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 1.1 t30 -100.66 113.24 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -43.16 -46.0 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 5.4 t70 -61.16 -31.91 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' ASN . 12.6 m-20 -88.09 45.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -45.34 -55.17 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -43.35 -57.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -58.32 -49.9 75.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -51.0 -59.96 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' GLN . 61.4 m-20 -51.25 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' ASN . 3.7 tp60 -36.37 -47.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.64 -61.68 2.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.84 -52.47 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 22.7 m-85 -56.61 -48.41 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.57 -59.32 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.1 t -47.75 -41.46 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -66.79 -34.41 77.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -80.32 -15.8 56.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -98.55 -27.93 13.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -105.41 -55.22 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.489 ' CD1' HD21 ' A' ' 112' ' ' LEU . 16.4 m-85 -83.77 -20.69 32.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 68.55 36.91 84.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.432 HD12 ' CE1' ' A' ' 109' ' ' PHE . 82.4 mt -108.87 124.12 35.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 111.127 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.8 41.17 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 152.8 69.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.6 m -97.83 -32.65 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.4 t -138.17 162.41 34.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.7 p -89.8 140.05 29.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.34 -36.49 4.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.44 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -62.51 -50.93 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -68.57 -39.5 80.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.3 tpt -51.41 -43.53 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.38 -38.76 15.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -60.59 -61.26 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.84 116.55 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -50.98 -58.34 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.403 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 26.7 tt0 -127.22 105.83 21.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.8 Cg_endo -69.74 176.75 6.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.52 142.56 39.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.473 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -77.99 -30.39 50.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -73.76 -65.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 104' ' ' MET . 32.6 m -41.04 -40.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -61.62 -57.76 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.832 HG13 HD22 ' A' ' 14' ' ' LEU . 77.9 t -52.61 -65.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 101' ' ' SER . 14.4 ptp -35.87 -32.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' VAL . 41.6 t80 -84.52 -42.42 15.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.549 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 20.4 mt -64.08 -49.08 73.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.2 p -45.58 -52.07 11.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.17 -44.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.432 ' CE1' HD12 ' A' ' 82' ' ' ILE . 23.3 m-85 -74.66 -46.57 37.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -42.19 -58.25 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.95 -57.46 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.489 HD21 ' CD1' ' A' ' 80' ' ' PHE . 16.6 tp -45.26 -62.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 50' ' ' PHE . 30.8 m-85 -56.87 -51.39 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.92 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.949 0.404 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -60.02 -45.92 91.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD12 ' CG ' ' A' ' 110' ' ' TYR . 27.6 tp -48.19 -62.12 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.5 tp -39.94 -51.31 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.8 m -43.96 -58.02 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -49.64 -61.77 1.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.4 m -46.87 -51.47 16.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.78 -45.04 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -63.14 -55.83 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -49.02 -44.64 41.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.8 p -93.44 36.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -91.54 117.58 29.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 113.39 -46.13 1.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' GLY . 8.8 m-85 -36.04 148.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.959 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.441 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -90.01 146.7 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 m170 54.74 31.76 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' GLN . 57.0 t -128.24 93.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.89 111.97 23.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -101.14 104.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.8 p -111.93 -38.89 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -128.59 -175.67 3.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 21.4 mt -114.74 19.62 15.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 p -130.91 -32.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.9 p -97.3 -47.79 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.537 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 20.3 p -58.73 -11.73 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.537 ' CD1' ' OG ' ' A' ' 36' ' ' SER . 10.1 m95 -119.08 18.12 13.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -74.55 -43.68 54.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.476 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 16.2 t -78.03 -40.83 37.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 118.14 -38.15 3.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.448 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 67.0 mt -36.39 -56.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -33.99 -67.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.97 -52.2 65.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.435 ' HB3' HG21 ' A' ' 55' ' ' ILE . 81.2 m -46.79 -37.35 8.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.31 -48.68 80.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.61 -43.02 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.629 ' HB ' HD12 ' A' ' 55' ' ' ILE . 47.5 mt -71.95 -56.62 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -49.5 -47.98 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -64.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -69.3 -51.03 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.483 ' HB2' HD12 ' A' ' 54' ' ' LEU . 5.2 mmp_? -124.15 90.59 50.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.51 29.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.81 -30.82 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 51' ' ' ARG . 59.6 mt -72.6 -44.43 62.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.629 HD12 ' HB ' ' A' ' 47' ' ' ILE . 80.8 mt -131.44 134.38 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.407 HD22 ' CB ' ' A' ' 59' ' ' SER . 40.9 t30 -109.2 88.1 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.723 ' HA ' HD12 ' A' ' 60' ' ' LEU . 8.0 t80 -46.15 -52.32 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -39.75 -38.56 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.407 ' CB ' HD22 ' A' ' 56' ' ' ASN . 3.2 m -77.51 -41.85 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 57' ' ' PHE . 57.6 mt -50.39 119.72 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -110.08 119.11 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 63' ' ' ASP . 2.7 pp20? -35.01 -52.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.483 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 26.6 t70 -55.19 -41.9 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ASN . 17.9 m-20 -79.76 43.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' VAL . . . -47.63 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' ALA . 92.4 t -37.39 -57.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -56.99 -50.46 72.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.432 ' OD1' HD22 ' A' ' 60' ' ' LEU . 88.7 m-20 -52.5 -59.41 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 39' ' ' SER . 58.1 m-20 -55.44 -59.46 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -46.42 -46.05 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 60' ' ' LEU . 40.5 tp -51.52 -64.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.78 -50.44 25.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -54.85 -49.3 71.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.86 -43.04 99.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.9 t -64.97 -36.8 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -70.68 -30.67 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -86.21 -15.96 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.13 -33.26 10.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -97.53 -55.09 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -86.48 -23.12 26.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 72.88 30.57 63.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.446 HD12 ' CE1' ' A' ' 109' ' ' PHE . 50.6 mt -100.74 120.73 54.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.158 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.79 11.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.411 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 54.1 Cg_endo -69.77 142.79 48.85 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.2 m -79.84 -31.0 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -138.14 158.3 44.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.9 p -96.36 139.58 32.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.58 -48.35 1.26 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -47.97 -52.31 20.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.91 -42.33 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.5 tpt -47.82 -39.8 19.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.78 -38.74 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -62.94 -61.77 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.25 112.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -43.25 -57.25 3.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -135.52 114.79 11.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.645 0.736 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.75 10.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.84 127.57 32.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 103' ' ' VAL . 18.3 ttmm -60.52 -46.2 91.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.39 -66.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 104' ' ' MET . 7.5 t -40.67 -43.42 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 55.1 mmm -67.06 -54.2 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 99' ' ' LYS . 95.5 t -52.34 -47.84 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 18.1 ptp -60.68 -40.61 92.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.463 ' N ' ' HG3' ' A' ' 104' ' ' MET . 51.4 t80 -66.36 -57.78 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.9 mt -50.03 -50.07 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 t -42.42 -36.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HD3' HG21 ' A' ' 82' ' ' ILE . 22.1 mtpt -54.37 -45.05 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.446 ' CE1' HD12 ' A' ' 82' ' ' ILE . 30.2 m-85 -77.33 -44.61 28.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.444 ' CG ' HD12 ' A' ' 14' ' ' LEU . 7.7 t80 -43.81 -59.03 2.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -68.47 -43.35 77.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.5 tp -43.76 -46.4 7.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -92.93 -52.21 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 110' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.954 0.407 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -51.1 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -51.89 -56.34 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 tp -49.2 -51.77 30.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.1 m -45.72 -59.61 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -49.29 -52.44 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.5 m -54.52 -51.55 64.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -48.44 -47.0 38.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -58.0 -49.09 78.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -55.4 -49.06 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.545 HG22 ' HB3' ' A' ' 45' ' ' ALA . 68.0 p -85.71 34.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -83.32 137.08 34.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 90.01 -41.29 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.541 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' GLY . 22.3 m-85 -36.74 135.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -82.71 144.38 30.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 58.45 25.23 12.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -125.66 100.64 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -118.68 90.13 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.2 t -76.96 123.04 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 t -131.49 -32.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.85 -175.21 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.519 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 12.1 mt -119.91 32.98 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.1 p -128.18 -57.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.2 p -86.06 -42.71 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 4.4 m -52.51 -32.29 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 2.8 m95 -109.72 33.25 4.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HA ' ' HE3' ' A' ' 91' ' ' MET . 25.7 ptt-85 -87.24 -39.11 15.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 47.7 t -87.62 -39.3 15.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 124.71 -36.12 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' GLY . 93.6 mt -35.71 -48.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -44.8 -63.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.7 tp -61.61 -55.21 33.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.3 m -43.45 -34.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.545 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -62.06 -49.04 77.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -57.64 -55.11 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.467 ' HB ' HD12 ' A' ' 55' ' ' ILE . 79.0 mt -55.74 -61.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -38.56 -49.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -45.69 -56.71 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -68.96 -54.57 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -126.17 89.39 52.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -6.47 18.66 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -80.79 -38.04 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.2 mt -68.22 -42.9 79.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.739 ' CG2' HD11 ' A' ' 60' ' ' LEU . 68.4 mt -125.51 140.84 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.3 m-20 -114.35 79.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.7 ' HA ' HD12 ' A' ' 60' ' ' LEU . 5.0 t80 -40.78 -46.92 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.91 -38.56 70.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' ASN . 5.6 t -80.23 -32.73 38.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.739 HD11 ' CG2' ' A' ' 55' ' ' ILE . 97.1 mt -54.91 118.89 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.534 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 1.0 OUTLIER -102.49 117.92 35.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' N ' HD22 ' A' ' 61' ' ' ASN . 1.4 pt-20 -39.55 -49.28 2.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.534 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 19.2 t0 -55.53 -36.91 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -81.55 40.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.96 -47.52 52.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.8 t -48.71 -53.19 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -65.39 -47.23 77.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -51.52 -55.44 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 39' ' ' SER . 67.3 m-20 -57.38 -63.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -44.88 -39.87 5.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.88 -66.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.13 -44.38 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -64.57 -54.33 33.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.92 -44.51 70.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.38 -38.57 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.92 59.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.069 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -95.89 -11.87 26.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -103.75 -34.0 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.73 -45.25 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.438 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 4.3 m-85 -98.09 -23.07 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.84 54.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.9 mt -99.75 119.63 59.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 124.87 11.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.32 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.66 51.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.2 m -80.87 -31.17 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.589 HG21 ' SD ' ' A' ' 91' ' ' MET . 9.4 t -136.05 152.19 50.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 88' ' ' GLY . 71.1 p -94.8 132.92 39.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.92 -49.05 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -64.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -65.43 -46.41 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.589 ' SD ' HG21 ' A' ' 86' ' ' THR . 10.6 tpt -41.2 -52.8 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.78 90.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.6 m -57.48 -61.69 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.28 124.34 15.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -69.55 -51.63 33.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 9.1 tt0 -125.02 103.52 30.36 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.1 Cg_endo -69.72 -176.11 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' LYS . 2.2 m-20 -88.88 104.78 17.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.768 ' O ' HG23 ' A' ' 103' ' ' VAL . 14.0 ttmt -38.1 -40.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.25 -67.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 t -38.76 -44.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.7 mmm -65.66 -48.56 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 99' ' ' LYS . 88.6 t -60.04 -50.81 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.6 ptm -60.55 -39.09 86.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.46 -44.89 73.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 103' ' ' VAL . 20.1 mt -53.76 -51.77 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.5 p -39.88 -39.15 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -43.71 -47.19 7.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -84.17 -50.78 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.523 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 77.1 t80 -39.8 -54.84 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -60.1 -58.59 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.2 tp -45.14 -61.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -58.13 -52.29 66.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.523 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 26.1 ttp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -56.81 150.08 17.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -66.0 -42.73 89.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.07 62.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -71.77 133.83 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -154.73 130.89 10.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.12 -64.04 0.62 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -128.21 131.57 48.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.449 ' CG2' ' HD2' ' A' ' 11' ' ' PRO . 22.9 mm -103.15 146.06 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 7.6 mmm180 -74.58 -62.16 1.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.5 Cg_endo -69.79 6.82 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t -41.2 -54.95 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -67.04 -43.99 81.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -51.12 -56.52 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 tp -42.34 -58.09 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' TRP . 17.4 m -38.34 -69.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' THR . 57.1 t90 -37.44 -59.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.6 m -52.13 -57.58 9.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -51.3 -36.57 43.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -66.9 -49.97 63.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -59.39 -47.25 86.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.0 p -70.99 -24.95 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -47.19 133.96 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.07 -48.09 1.0 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -46.43 169.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 28' ' ' VAL . 25.7 mp0 -109.89 147.77 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 56.01 25.5 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 26' ' ' GLN . 95.9 t -128.27 96.78 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -112.63 100.74 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.69 113.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.7 p -119.92 -22.33 6.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.79 -175.18 3.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 11' ' ' PRO . 11.3 mt -119.62 33.17 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 p -128.85 -74.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t -76.26 -29.33 57.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.508 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 5.8 m -55.04 -14.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.459 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.4 m95 -127.34 29.47 5.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -84.84 -22.63 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.831 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.2 t -96.78 -27.62 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 106.14 -39.73 2.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.447 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 85.7 mt -37.36 -49.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -42.05 -63.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 tp -59.86 -57.34 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.609 ' HB3' HG21 ' A' ' 55' ' ' ILE . 67.6 m -41.27 -40.66 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.0 -47.56 84.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.8 mt -59.26 -47.4 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.415 ' HB ' HD12 ' A' ' 55' ' ' ILE . 58.2 mt -63.19 -69.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.484 ' ND1' ' C ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -39.51 -40.58 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -44.12 -52.66 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.14 -43.75 21.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.679 ' HB2' HD12 ' A' ' 54' ' ' LEU . 25.1 mmt85 -131.16 89.54 41.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.81 31.71 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.467 ' OE1' ' CA ' ' A' ' 51' ' ' ARG . 1.1 pm0 -67.72 -15.43 63.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.679 HD12 ' HB2' ' A' ' 51' ' ' ARG . 23.5 mt -88.84 -50.63 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.609 HG21 ' HB3' ' A' ' 44' ' ' CYS . 91.5 mt -121.8 135.6 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.482 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -115.26 87.43 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.593 ' HA ' HD12 ' A' ' 60' ' ' LEU . 4.2 t80 -46.83 -37.44 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -46.3 -41.9 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.1 t -81.69 -28.59 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 57' ' ' PHE . 73.7 mt -64.56 101.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' ASP . 3.5 t30 -98.49 131.55 44.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ASN . 1.2 pp20? -35.01 -53.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.443 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 4.9 t70 -51.87 -42.05 62.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' ASN . 94.0 m-20 -79.06 49.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.22 -57.23 13.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -43.87 -54.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.39 -44.89 93.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.434 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 52.4 m-20 -54.86 -30.41 57.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -81.8 -58.81 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -45.92 -42.6 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.7 tp -53.38 -62.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.38 -50.01 63.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -52.09 -61.08 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.34 -55.91 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -48.71 -44.61 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -69.09 -26.89 65.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -87.27 -15.0 39.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -97.15 -33.62 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -98.28 -55.35 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -85.95 -24.04 26.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 77.57 16.71 79.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.4 mt -87.55 112.27 47.35 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.723 . . . . 0.0 111.121 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 135.62 30.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.51 28.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.623 2.215 . . . . 0.0 112.364 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.82 -32.52 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.481 HG21 ' SD ' ' A' ' 91' ' ' MET . 5.4 t -127.34 161.58 28.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLY . 75.5 p -92.51 136.48 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.4 -50.17 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -55.81 -52.56 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.57 -40.84 93.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.481 ' SD ' HG21 ' A' ' 86' ' ' THR . 9.3 tpt -54.02 -45.62 71.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.86 -38.32 38.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -60.37 -58.69 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.65 126.63 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.111 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -74.14 -52.91 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 32.8 tt0 -128.35 96.51 30.64 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.621 0.725 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.4 Cg_endo -69.78 -178.23 2.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.733 2.289 . . . . 0.0 112.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.67 107.31 18.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 103' ' ' VAL . 36.2 ttpt -44.61 -31.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.72 -66.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.6 m -46.5 -28.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 48.9 mmm -74.22 -54.44 7.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 99' ' ' LYS . 53.9 t -53.28 -52.47 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 17.8 ptp -51.35 -36.73 44.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.412 ' N ' ' HG3' ' A' ' 104' ' ' MET . 56.7 t80 -75.63 -58.93 2.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.6 mt -49.8 -42.48 46.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.3 m -43.4 -49.12 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -48.62 -41.3 30.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -73.26 -27.51 61.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -71.62 -50.43 30.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.31 -41.21 70.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.27 -37.25 72.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -86.71 -48.89 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -67.87 102.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.46 -117.61 3.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 69.9 p -67.16 144.11 98.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 111.139 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 141.36 45.01 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 118' ' ' LEU . 1.1 pt? -147.56 131.33 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.5 148.32 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.44 13.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.899 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -82.37 95.06 7.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -137.94 162.75 33.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.58 -122.82 23.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 67.54 43.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -106.79 -46.9 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.59 169.36 28.67 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.57 130.76 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.863 HG22 ' HD2' ' A' ' 11' ' ' PRO . 6.5 mt -84.85 147.51 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 19.6 mmm-85 -33.01 -60.14 0.4 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.863 ' HD2' HG22 ' A' ' 9' ' ' ILE . 53.7 Cg_endo -69.74 -51.26 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.6 m -38.45 -36.49 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -47.9 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD21 ' CD1' ' A' ' 106' ' ' LEU . 13.8 tp -53.33 -48.99 68.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.8 tp -48.96 -50.34 36.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -50.02 -61.42 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -45.77 -48.8 15.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.7 m -64.12 -38.77 92.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.12 -43.19 99.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -62.44 -57.78 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -49.53 -50.42 41.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' GLU . 41.2 p -67.55 -37.85 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' THR . 9.7 tt0 -37.29 133.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.05 -42.71 1.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -54.99 166.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.848 ' O ' HG23 ' A' ' 28' ' ' VAL . 2.4 mp0 -99.1 154.93 17.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 43.11 28.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 26' ' ' GLN . 83.8 t -125.18 97.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -117.45 99.34 6.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -89.32 112.49 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.0 p -120.92 -37.43 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -124.16 -178.61 4.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -119.7 31.01 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 p -132.68 -44.94 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.5 p -96.62 -40.37 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -54.67 -32.39 59.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.485 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.9 m95 -110.41 34.88 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.473 ' HA ' ' HE3' ' A' ' 91' ' ' MET . 14.4 ptt180 -86.12 -36.33 19.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.3 t -89.69 -39.09 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 125.2 -36.69 2.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 73.4 mt -34.62 -56.09 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.12 -57.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.07 -59.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.0 m -40.79 -39.64 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.96 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.3 -56.11 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.62 ' HB ' HD12 ' A' ' 55' ' ' ILE . 17.2 mt -60.34 -65.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -41.54 -42.46 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -49.26 -62.68 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -66.31 -53.7 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.3 mmt-85 -121.47 89.51 47.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.49 37.03 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.762 2.308 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -70.26 -29.0 65.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.473 HD13 ' HG3' ' A' ' 79' ' ' GLU . 74.0 mt -74.35 -59.41 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.62 HD12 ' HB ' ' A' ' 47' ' ' ILE . 90.4 mt -110.91 140.67 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -115.37 87.63 2.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.471 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 19.0 t80 -53.51 -40.28 65.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -40.47 -42.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -80.18 -47.38 14.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.755 HD21 HD22 ' A' ' 71' ' ' LEU . 71.0 mt -51.54 113.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.476 ' ND2' ' HB3' ' A' ' 63' ' ' ASP . 1.8 t30 -113.67 144.75 42.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -42.2 -55.72 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.476 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 23.7 t70 -45.99 -33.33 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 1.4 m-20 -92.34 75.53 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.78 -56.57 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.619 HG11 ' HE2' ' A' ' 89' ' ' LYS . 97.5 t -48.28 -51.19 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.6 -48.84 79.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 85.6 m-20 -51.92 -58.22 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -57.28 -63.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -42.75 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.755 HD22 HD21 ' A' ' 60' ' ' LEU . 52.2 tp -57.48 -68.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.36 -46.24 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.12 -47.6 85.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -62.38 -40.65 97.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 55' ' ' ILE . 55.2 t -67.39 -44.57 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.68 74.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -85.67 -12.07 52.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -98.93 -32.67 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' HG3' HD13 ' A' ' 54' ' ' LEU . 50.7 mm-40 -99.15 -54.33 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -86.34 -20.13 28.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.57 33.8 72.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 95.8 mt -100.62 125.67 38.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 129.35 17.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 140.24 42.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 86' ' ' THR . 34.5 m -79.88 -41.16 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.426 ' N ' HG23 ' A' ' 85' ' ' VAL . 11.9 t -127.14 156.88 41.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -90.99 144.5 25.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -43.48 -45.29 6.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.619 ' HE2' HG11 ' A' ' 66' ' ' VAL . 38.2 mmtt -52.83 -50.21 64.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.48 -47.08 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.473 ' HE3' ' HA ' ' A' ' 38' ' ' ARG . 8.6 tpt -43.58 -44.74 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.06 -38.78 24.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -61.7 -64.57 0.9 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.97 108.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.51 -59.03 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 4.9 tt0 -109.34 96.34 21.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.4 Cg_endo -69.71 179.65 3.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.384 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -84.71 101.37 12.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 103' ' ' VAL . 79.1 tttt -38.54 -50.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.17 -60.06 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.7 m -45.27 -39.84 6.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.0 mmm -69.02 -51.68 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 99' ' ' LYS . 99.6 t -56.13 -51.71 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 5.3 ptm -54.47 -38.25 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.412 ' N ' ' HG3' ' A' ' 104' ' ' MET . 82.6 t80 -71.07 -63.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD1' HD21 ' A' ' 14' ' ' LEU . 11.0 mt -42.45 -48.37 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -41.69 -38.1 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -48.84 -42.58 36.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -83.1 -47.99 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.477 ' CZ ' ' HD2' ' A' ' 114' ' ' ARG . 83.7 t80 -43.89 -61.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.958 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.45 -47.43 85.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.5 tp -48.73 -58.77 4.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -64.65 -50.48 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.477 ' HD2' ' CZ ' ' A' ' 110' ' ' TYR . 26.7 ttt-85 -42.96 -47.4 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.15 106.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -113.24 140.89 24.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.596 0.713 . . . . 0.0 111.109 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 155.38 66.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.726 ' H ' HD12 ' A' ' 118' ' ' LEU . 4.2 mp -65.02 78.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -34.75 130.14 0.47 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 113.52 3.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.378 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -130.26 150.9 51.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -104.14 150.96 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.88 99.24 0.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -164.43 135.56 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -111.28 129.54 55.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.14 -179.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -174.5 161.16 3.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.481 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 4.4 mp -87.95 132.29 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.541 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 54.5 mtt180 -69.77 -57.35 6.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.6 Cg_endo -69.73 8.84 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.481 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 2.2 t -87.94 -63.54 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -52.7 -23.88 7.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -70.09 -55.9 8.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.0 tp -54.75 -42.18 71.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -56.98 -61.87 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.413 ' CZ3' ' HA ' ' A' ' 110' ' ' TYR . 77.3 t90 -47.3 -45.39 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.3 m -65.4 -41.82 93.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -60.13 -44.14 95.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -58.35 -52.22 66.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -55.41 -47.86 75.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 p -68.66 -30.03 68.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -44.13 138.0 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.91 -41.46 2.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -52.77 170.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -111.59 149.26 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 52.86 32.17 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 t -128.4 101.36 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -113.31 105.31 13.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -102.59 110.53 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.2 p -124.31 -30.32 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -124.43 -178.14 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.4 mt -120.86 29.25 7.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 p -124.02 -61.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.47 -29.16 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.652 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 10.3 m -53.89 -16.72 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.423 ' CZ3' HD22 ' A' ' 106' ' ' LEU . 3.6 m95 -126.05 29.16 5.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -81.67 -33.75 31.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.4 t -93.37 -23.48 18.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 102.93 -33.47 6.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.467 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 89.9 mt -36.83 -52.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -39.02 -68.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.31 -48.9 77.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -48.27 -26.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.98 -41.82 50.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.01 -48.97 81.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.472 ' HB ' HD12 ' A' ' 55' ' ' ILE . 42.1 mt -63.24 -52.62 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.487 ' C ' ' ND1' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -57.97 -31.1 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' CD ' ' C ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -48.94 -62.07 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -68.95 -52.27 30.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -123.9 89.57 51.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.726 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.455 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.82 -0.48 7.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.57 -28.98 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.7 mt -72.39 -38.76 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.555 HG23 ' CD2' ' A' ' 71' ' ' LEU . 44.7 mt -128.43 131.13 69.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -101.2 82.91 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.702 ' HA ' HD12 ' A' ' 60' ' ' LEU . 6.1 t80 -59.07 -32.9 70.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -58.49 -19.65 38.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -102.76 -32.91 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 57' ' ' PHE . 86.3 mt -51.44 118.97 3.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.535 HD22 ' N ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -105.69 122.8 46.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.535 ' N ' HD22 ' A' ' 61' ' ' ASN . 18.9 tt0 -35.94 -52.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.486 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 2.9 t70 -54.94 -40.09 69.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 61' ' ' ASN . 42.3 m-20 -77.16 47.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.12 -57.96 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.7 t -39.42 -55.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.65 -45.24 87.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.441 ' HA ' HD22 ' A' ' 60' ' ' LEU . 89.7 m-20 -49.91 -50.13 47.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -66.04 -56.91 9.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -47.28 -37.96 11.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.693 ' O ' HG23 ' A' ' 75' ' ' VAL . 60.9 tp -58.61 -62.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -39.9 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 7.9 m-30 -61.56 -61.57 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -53.36 -38.55 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 71' ' ' LEU . 79.8 t -63.31 -53.49 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.23 -19.63 65.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -93.43 -14.18 27.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -95.96 -31.4 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.32 -55.11 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -84.54 -22.23 30.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.71 14.88 79.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.3 mt -87.4 114.99 61.29 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.59 0.71 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.08 44.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 153.46 69.02 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.731 HG13 ' CD1' ' A' ' 105' ' ' TYR . 13.6 m -83.39 -38.29 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.602 HG21 ' SD ' ' A' ' 91' ' ' MET . 10.1 t -126.16 165.44 18.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' GLY . 57.1 p -90.51 133.32 35.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.69 -53.82 0.81 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -49.92 -56.73 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.56 -47.41 84.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.602 ' SD ' HG21 ' A' ' 86' ' ' THR . 9.2 tpt -42.28 -42.18 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.5 -34.16 47.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.3 m -60.06 -66.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.17 113.7 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.33 -41.3 94.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -127.46 96.62 32.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.62 30.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.57 111.7 4.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.621 ' O ' HG23 ' A' ' 103' ' ' VAL . 26.1 ttpt -46.62 -23.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -65.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -52.71 -16.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 41.3 mmm -84.44 -53.17 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 99' ' ' LYS . 87.7 t -63.54 -43.77 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 16.2 ptm -58.79 -31.43 68.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.731 ' CD1' HG13 ' A' ' 85' ' ' VAL . 39.0 t80 -81.11 -67.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.423 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 35.1 mt -43.16 -43.17 4.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.3 m -44.18 -39.17 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -58.04 -48.22 80.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -64.81 -42.38 95.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 21.5 t80 -58.31 -61.54 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -57.88 -48.83 78.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.0 tp -53.68 -61.58 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -57.02 -52.41 65.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -44.24 -63.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 138.68 -110.75 0.75 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.575 HG22 ' HD2' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -136.5 138.28 26.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 111.155 -179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.575 ' HD2' HG22 ' A' ' 116' ' ' THR . 53.6 Cg_endo -69.8 176.77 6.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.576 ' C ' HD12 ' A' ' 118' ' ' LEU . 4.1 pp -94.26 149.18 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -141.16 143.78 32.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.1 28.73 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m 63.02 42.45 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -90.61 111.66 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.6 -55.98 8.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -147.65 156.54 42.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 m -118.51 167.15 11.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.52 -158.26 15.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -77.33 146.03 37.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 12' ' ' SER . 46.2 mt -89.45 123.07 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 21.9 mtt-85 -70.98 -59.26 3.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 54.0 Cg_endo -69.75 4.89 1.92 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.482 ' N ' HG22 ' A' ' 9' ' ' ILE . 2.5 t -41.06 -60.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -53.02 -56.63 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.0 tp -46.32 -64.48 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.6 tp -39.81 -54.99 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.2 m -40.31 -53.0 2.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -52.76 -61.2 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.6 m -48.81 -52.77 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -47.92 -45.26 30.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -64.05 -50.65 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -53.47 -44.07 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.441 HG22 ' HB3' ' A' ' 45' ' ' ALA . 43.5 p -92.94 33.98 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -88.65 127.32 35.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 102.59 -44.16 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' GLY . 11.5 m-85 -36.41 152.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' NE2' ' HA ' ' A' ' 26' ' ' GLN . 8.0 mm-40 -93.32 144.13 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 56.08 28.99 13.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 26' ' ' GLN . 71.1 t -126.63 99.47 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -114.86 98.8 7.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.4 t -91.24 108.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -119.32 -37.06 3.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.191 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -122.64 -176.92 3.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 11' ' ' PRO . 26.0 mt -120.62 31.43 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.1 p -131.78 -53.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.0 p -87.59 -36.83 17.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 m -52.37 -35.37 51.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CH2' HD22 ' A' ' 106' ' ' LEU . 3.5 m95 -104.41 30.06 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -84.61 -37.04 21.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.469 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 10.0 t -85.2 -53.11 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.428 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 135.26 -38.32 1.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD23 ' OD1' ' A' ' 68' ' ' ASN . 53.9 mt -42.84 -36.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.86 -58.34 6.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 53.9 tp -67.18 -54.13 23.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 92.9 m -42.76 -39.24 2.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -57.03 -57.94 10.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.061 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.0 mt -45.25 -50.68 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mt -63.97 -64.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -46.06 -30.97 2.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -59.8 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -75.49 -48.55 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -123.66 89.44 51.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -24.22 30.09 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.94 -39.47 78.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.37 -49.56 54.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.746 ' CG2' HD11 ' A' ' 60' ' ' LEU . 29.9 mt -131.07 133.31 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -112.61 95.68 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.409 ' HA ' HD12 ' A' ' 60' ' ' LEU . 9.4 t80 -39.19 -36.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.87 -42.6 99.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 56' ' ' ASN . 4.5 m -73.99 -29.77 62.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.746 HD11 ' CG2' ' A' ' 55' ' ' ILE . 88.0 mt -64.28 108.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.755 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 1.3 t-20 -75.25 112.34 11.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.6 -30.61 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.755 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 28.8 t70 -73.02 -33.62 65.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -83.67 54.9 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -52.64 -47.33 67.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.5 t -49.93 -55.5 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.53 -48.64 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.554 ' OD1' HD23 ' A' ' 41' ' ' LEU . 9.1 m-80 -41.99 -59.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 39' ' ' SER . 85.4 m-20 -54.71 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -42.62 -44.19 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.9 tp -56.98 -66.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -43.45 -49.49 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 20.9 m-85 -58.04 -51.39 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.73 -47.79 79.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.1 -45.75 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -66.76 -38.18 86.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -74.21 -11.89 60.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -101.58 -61.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.01 -54.37 10.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -82.97 -15.85 49.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 61.6 33.39 84.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.8 mt -101.88 119.85 55.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 111.082 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 129.2 17.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 150.25 68.18 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.7 m -90.56 -30.41 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -137.54 162.71 33.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.1 p -93.03 138.05 31.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.63 -44.41 4.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -54.05 -50.45 66.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -69.39 -44.76 70.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.9 tpt -49.21 -44.98 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.35 -38.02 42.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.3 m -61.74 -62.66 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.45 117.48 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -61.33 -59.95 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 9.5 tt0 -117.62 96.36 49.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.4 Cg_endo -69.82 179.47 3.7 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -78.73 139.33 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 103' ' ' VAL . 11.8 pttp -75.97 -37.5 58.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.01 -65.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -47.14 -39.11 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -63.94 -48.15 77.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 99' ' ' LYS . 70.2 t -63.9 -63.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.6 ptm -40.6 -39.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -71.69 -60.04 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.546 HD22 ' CH2' ' A' ' 37' ' ' TRP . 19.2 mt -47.04 -45.41 21.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.1 t -42.63 -44.08 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -47.02 -45.72 21.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -74.42 -39.86 62.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -49.53 -57.38 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.49 -48.37 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 tp -47.44 -53.17 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -70.51 -43.45 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.0 ttp85 -70.68 110.0 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.87 -91.93 0.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.603 HG22 ' HD2' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -150.69 138.3 12.06 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.565 0.698 . . . . 0.0 111.122 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.603 ' HD2' HG22 ' A' ' 116' ' ' THR . 54.2 Cg_endo -69.71 -172.31 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 117' ' ' PRO . 9.2 mt 35.03 48.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 34.8 mmm-85 -56.77 148.09 49.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 121.19 7.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -65.2 -60.86 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -47.27 132.12 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.94 129.95 1.07 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -84.77 46.28 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 t -83.18 43.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.71 70.0 1.0 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.65 111.33 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.483 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 81.8 mt -86.85 130.54 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.546 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 13.9 mtp85 -69.87 -57.08 6.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.562 0.696 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.9 Cg_endo -69.74 9.73 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 2.254 . . . . 0.0 112.324 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.483 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 30.7 t -96.76 -46.14 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -60.89 -32.82 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.5 -51.15 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.476 HD11 HG12 ' A' ' 30' ' ' VAL . 54.3 tp -58.35 -40.31 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 m -56.1 -59.79 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -48.94 -49.09 41.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.9 m -60.03 -51.2 70.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -51.54 -36.56 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.29 -49.21 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -62.59 -42.95 99.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 p -73.88 -27.51 61.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -48.28 135.83 13.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.31 -41.68 2.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -55.6 167.91 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.932 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.478 ' O ' HG23 ' A' ' 28' ' ' VAL . 9.2 pm0 -106.35 146.56 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 54.28 32.53 16.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 26' ' ' GLN . 67.7 t -125.43 102.64 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.557 ' OD1' HG23 ' A' ' 31' ' ' THR . 1.0 OUTLIER -115.1 104.62 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.476 HG12 HD11 ' A' ' 15' ' ' LEU . 89.4 t -93.44 103.52 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.557 HG23 ' OD1' ' A' ' 29' ' ' ASN . 66.5 p -117.06 -29.52 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -131.66 -175.54 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 15.2 mt -123.92 25.95 7.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 p -130.49 -38.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.0 p -99.27 -48.92 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 12.2 m -52.73 -22.64 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.477 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.3 m95 -115.44 29.55 7.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -86.59 -35.34 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.433 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 24.0 t -86.14 -37.71 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 122.21 -38.03 2.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.545 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLY . 56.4 mt -34.74 -49.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -40.55 -66.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 44' ' ' CYS . 30.7 tp -57.97 -57.0 14.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.424 ' SG ' HD13 ' A' ' 60' ' ' LEU . 95.9 m -36.56 -42.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.84 72.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.12 -51.0 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.517 ' HB ' HD12 ' A' ' 55' ' ' ILE . 51.6 mt -64.4 -61.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 3.4 t-80 -43.59 -43.01 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.8 tpt85 -42.81 -61.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -68.63 -51.55 40.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HB2' HD12 ' A' ' 54' ' ' LEU . 40.2 mmt180 -126.68 89.46 52.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.585 0.707 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.74 -15.15 37.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.8 -31.29 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.456 HD12 ' HB2' ' A' ' 51' ' ' ARG . 33.8 mt -70.8 -46.01 63.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.554 ' CG2' HD11 ' A' ' 60' ' ' LEU . 96.2 mt -122.18 143.38 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -117.96 93.75 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -54.84 -39.47 68.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -51.34 -35.86 40.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 p -82.14 -47.87 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.554 HD11 ' CG2' ' A' ' 55' ' ' ILE . 47.5 mt -52.54 105.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.4 t30 -103.68 131.48 50.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 61' ' ' ASN . 11.3 pt-20 -35.28 -48.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.452 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 9.8 t0 -49.15 -45.54 43.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.0 m-20 -84.56 61.61 6.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.93 -58.67 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -42.85 -53.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.96 -44.69 95.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -48.57 -55.64 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' OD1' ' CA ' ' A' ' 40' ' ' GLY . 72.8 m-80 -59.42 -60.86 3.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -41.83 -43.21 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.548 HD23 HD21 ' A' ' 60' ' ' LEU . 59.9 tp -56.65 -66.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.16 -45.43 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -59.77 -51.65 68.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.39 -38.85 81.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.4 -46.14 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.423 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -68.02 -30.97 70.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -83.64 -13.82 53.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.444 ' CZ ' ' O ' ' A' ' 78' ' ' ARG . 3.5 tpm_? -99.94 -29.22 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -101.87 -51.83 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 17.2 m-85 -87.69 -20.87 25.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.87 27.98 69.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 84.3 mt -97.63 121.04 59.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.25 20.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.56 40.57 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.5 m -82.82 -28.24 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.459 HG21 ' SD ' ' A' ' 91' ' ' MET . 9.6 t -138.25 155.42 48.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.5 p -89.96 140.86 29.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -41.83 -37.84 2.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -56.64 -62.06 2.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -64.01 -38.32 90.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.459 ' SD ' HG21 ' A' ' 86' ' ' THR . 8.9 tpt -56.6 -45.14 81.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.86 -34.82 29.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.6 m -63.77 -61.25 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.51 113.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.471 ' NE2' ' CB ' ' A' ' 96' ' ' GLU . 3.8 pp0? -59.61 -42.88 93.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.471 ' CB ' ' NE2' ' A' ' 95' ' ' GLN . 6.7 tt0 -133.6 96.49 16.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.19 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.44 111.2 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -43.79 -53.29 6.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.19 -66.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.9 m -41.32 -39.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.1 mmt -68.37 -52.44 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.17 -57.51 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.8 ptm -49.19 -33.84 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -76.52 -66.04 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.07 -41.18 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -42.7 -45.24 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -47.94 -52.07 21.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -64.39 -50.87 65.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 114' ' ' ARG . 67.9 t80 -42.42 -46.51 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.954 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -74.34 -53.46 9.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 tp -44.77 -53.01 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -72.14 -47.22 52.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 110' ' ' TYR . 53.9 ttt-85 -60.2 93.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.26 -70.59 0.87 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.9 p -81.47 151.36 68.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 132.54 23.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt -100.28 100.38 11.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.487 ' CD ' ' HD2' ' A' ' 120' ' ' PRO . 11.3 tpt180 -71.65 136.36 83.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.487 ' HD2' ' CD ' ' A' ' 119' ' ' ARG . 54.0 Cg_endo -69.76 108.03 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 p -73.23 103.96 4.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -156.88 175.97 13.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.65 -168.67 14.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -91.35 136.55 33.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -86.67 115.3 24.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.75 -127.14 3.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -67.38 119.09 11.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.484 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 39.6 mt -88.64 126.06 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.532 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 14.3 mtt85 -71.73 -57.96 3.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.707 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 54.1 Cg_endo -69.8 9.6 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.629 2.219 . . . . 0.0 112.395 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.484 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 1.2 t -81.75 -50.44 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -58.26 -50.67 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -52.61 -53.8 41.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 tp -49.78 -53.47 24.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.5 m -45.65 -52.89 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -51.72 -57.84 8.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.2 m -53.25 -45.26 68.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -54.97 -46.14 75.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -61.7 -49.58 75.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -53.99 -46.12 71.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -90.85 34.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -85.24 124.27 31.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.94 -41.43 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -38.34 153.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.773 ' O ' HG23 ' A' ' 28' ' ' VAL . 24.7 mm-40 -95.42 157.55 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 42.67 27.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 26' ' ' GLN . 78.9 t -125.95 93.1 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.18 94.53 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -82.36 105.36 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 p -112.51 -38.25 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -123.78 179.03 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mt -114.03 25.58 11.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 p -126.27 -53.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.2 p -83.34 -42.4 17.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.731 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 10.9 m -49.79 -32.26 13.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.48 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.3 m95 -110.68 36.07 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -91.49 -32.88 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -96.3 -37.43 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.13 -36.24 2.65 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.6 mt -38.36 -43.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -50.56 -63.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 72' ' ' ALA . 61.0 tp -65.31 -53.92 36.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.1 m -43.02 -35.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.87 -60.9 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.1 mt -43.07 -58.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mt -57.6 -67.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -42.73 -27.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.67 -61.03 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -69.8 -51.05 37.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -126.54 89.46 52.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -10.27 28.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.753 2.302 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -75.62 -19.76 58.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.4 mt -87.09 -37.07 17.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.608 ' CG2' HD11 ' A' ' 60' ' ' LEU . 30.8 mt -135.18 137.0 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' OD1' ' CG ' ' A' ' 58' ' ' ASP . 18.3 t-20 -108.93 79.57 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.616 ' HA ' HD12 ' A' ' 60' ' ' LEU . 16.5 t80 -45.98 -57.69 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' CG ' ' OD1' ' A' ' 56' ' ' ASN . 3.4 p-10 -37.09 -34.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.427 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 28.2 t -82.58 -48.37 11.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.724 HD22 ' OD1' ' A' ' 68' ' ' ASN . 28.9 mt -50.7 112.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.8 t30 -109.97 145.71 36.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 18.1 tt0 -35.0 -57.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.488 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 3.5 t70 -44.38 -42.57 6.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 52.6 m-20 -79.84 44.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.52 -59.8 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.9 t -47.4 -46.61 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.73 -45.71 77.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.724 ' OD1' HD22 ' A' ' 60' ' ' LEU . 92.4 m-20 -51.69 -43.27 62.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -68.48 -60.76 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -48.45 -39.72 23.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 tp -56.95 -67.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.464 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -44.3 -47.01 9.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -57.27 -50.39 73.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.76 -44.36 90.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.64 -39.08 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.58 -24.26 61.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -94.19 -14.03 26.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -100.51 -28.95 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -101.77 -54.82 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -85.92 -18.2 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.24 30.23 69.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.426 HG21 ' HD2' ' A' ' 108' ' ' LYS . 91.0 mt -99.42 121.98 53.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.63 21.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 144.91 55.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 86' ' ' THR . 26.8 m -82.85 -45.36 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.494 ' N ' HG23 ' A' ' 85' ' ' VAL . 8.8 t -127.29 167.56 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.2 p -93.79 139.19 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -38.03 -49.76 2.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -49.32 -63.46 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -55.22 -45.23 75.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.3 tpt -48.47 -51.04 29.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.62 -38.75 64.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -59.48 -64.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.51 117.96 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 28.4 pt20 -64.25 -44.7 90.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 19.8 tt0 -131.73 96.32 21.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.0 Cg_endo -69.72 174.58 9.27 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.361 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' LYS . 7.6 t0 -76.21 104.08 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.729 ' O ' HG23 ' A' ' 103' ' ' VAL . 18.8 ttmm -37.86 -40.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' VAL . 4.4 mm? -62.54 -66.83 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -38.07 -38.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.457 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.1 OUTLIER -72.59 -45.76 57.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 99' ' ' LYS . 84.7 t -63.04 -55.75 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 19.0 ptm -47.17 -36.05 8.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -77.27 -58.49 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.421 HD21 ' CE3' ' A' ' 37' ' ' TRP . 47.4 mt -47.06 -46.16 22.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 m -43.42 -48.58 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.426 ' HD2' HG21 ' A' ' 82' ' ' ILE . 41.9 mttt -43.48 -52.05 6.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -63.86 -48.27 77.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.403 ' CE1' ' HD3' ' A' ' 114' ' ' ARG . 11.8 t80 -42.95 -62.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -60.2 -54.65 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -43.81 -63.99 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -59.46 -51.66 68.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.403 ' HD3' ' CE1' ' A' ' 110' ' ' TYR . 22.0 ttt-85 -62.9 98.46 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.58 -46.94 29.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.9 p -48.67 144.21 7.15 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 0.0 111.132 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 116.93 4.78 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -49.21 151.84 1.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -76.31 121.03 84.18 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 144.16 52.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 p -159.74 177.35 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -44.98 108.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.94 103.39 1.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 m -89.17 97.96 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.883 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -153.06 131.34 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.15 -157.95 14.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.49 123.95 49.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.617 HG21 ' CB ' ' A' ' 12' ' ' SER . 37.6 mm -97.13 157.33 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.606 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.5 OUTLIER -86.8 -68.84 0.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.934 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.606 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 54.0 Cg_endo -69.78 -52.33 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.218 . . . . 0.0 112.335 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.617 ' CB ' HG21 ' A' ' 9' ' ' ILE . 19.3 t -48.84 -58.88 4.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -59.32 -51.71 68.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -42.77 -45.98 5.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.05 -49.65 73.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.4 m -47.49 -54.67 10.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -51.29 -56.26 13.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.2 m -52.32 -49.41 64.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -52.43 -50.94 61.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -51.25 -54.28 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -56.93 -40.01 75.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -91.47 30.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -88.03 124.06 33.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 107.04 -45.27 1.33 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' GLY . 19.3 m-85 -34.84 148.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.57 ' O ' HG23 ' A' ' 28' ' ' VAL . 66.1 mt-30 -85.95 146.61 26.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 47.11 29.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 26' ' ' GLN . 44.1 t -124.34 93.84 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -114.25 96.62 5.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.8 t -83.13 105.47 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.8 p -116.31 -33.04 5.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.24 -178.79 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mt -119.37 30.26 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 p -127.48 -52.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.6 p -92.3 -40.3 11.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 52.7 m -50.25 -31.12 13.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.493 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.5 m95 -112.43 35.84 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -86.92 -34.55 19.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 89.5 p -92.09 -47.85 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 133.42 -37.84 1.94 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.538 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.711 HD23 ' OD1' ' A' ' 68' ' ' ASN . 52.5 mt -37.28 -47.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -44.23 -65.47 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.589 HD23 ' HB1' ' A' ' 72' ' ' ALA . 54.9 tp -60.13 -57.51 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.3 m -37.71 -41.13 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.429 ' HB1' ' CZ ' ' A' ' 25' ' ' TYR . . . -59.03 -49.18 78.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.25 -52.33 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.792 ' HB ' HD12 ' A' ' 55' ' ' ILE . 64.0 mt -60.32 -50.65 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -54.71 -44.81 73.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 -42.25 -59.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -73.58 -44.3 57.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HB2' HD12 ' A' ' 54' ' ' LEU . 39.7 mmt180 -131.33 89.41 41.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -11.7 31.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.32 -40.99 42.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 51' ' ' ARG . 47.5 mt -59.84 -45.23 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.792 HD12 ' HB ' ' A' ' 47' ' ' ILE . 73.7 mt -121.27 134.55 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.41 87.25 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -53.03 -48.77 67.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -39.55 -37.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -81.51 -45.38 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.545 HD21 ' CD2' ' A' ' 71' ' ' LEU . 72.4 mt -53.02 119.53 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.6 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 3.9 t30 -99.3 164.96 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 61' ' ' ASN . 29.0 tt0 -69.0 -38.16 79.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.6 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 5.5 t70 -85.1 13.47 6.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -111.73 30.69 6.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.57 -60.85 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.6 t -41.98 -53.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -60.87 -50.37 73.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.711 ' OD1' HD23 ' A' ' 41' ' ' LEU . 16.6 m-80 -46.0 -60.79 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 39' ' ' SER . 84.0 m-20 -55.42 -66.64 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -39.02 -45.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.545 ' CD2' HD21 ' A' ' 60' ' ' LEU . 50.5 tp -58.0 -62.28 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.589 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -46.63 -52.41 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -54.05 -48.73 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -56.78 -45.7 81.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.56 -42.4 96.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.23 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -93.76 -12.93 28.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -93.41 -33.14 13.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -103.87 -55.03 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -84.93 -21.57 29.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.46 34.27 84.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 92.9 mt -100.17 122.6 49.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 124.68 11.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.21 42.06 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.39 -31.35 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.559 HG21 ' SD ' ' A' ' 91' ' ' MET . 15.2 t -138.29 160.65 38.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.3 p -95.4 155.99 16.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.86 -46.31 55.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -55.03 -50.48 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -69.77 -30.72 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.559 ' SD ' HG21 ' A' ' 86' ' ' THR . 7.1 tpt -68.26 -38.51 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.48 -34.79 47.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.9 p -71.68 -51.68 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.39 109.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.33 -54.21 46.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 31.0 tt0 -130.31 96.84 23.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.0 Cg_endo -69.76 177.95 5.06 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.91 126.87 34.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 103' ' ' VAL . 4.5 mtpm? -55.82 -44.22 77.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -63.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.0 p -44.97 -29.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -79.19 -44.3 22.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 99' ' ' LYS . 83.1 t -66.6 -50.0 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 26.2 ptm -54.03 -36.95 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -76.55 -66.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.7 mt -42.49 -42.27 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t -43.22 -43.74 4.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -49.11 -51.18 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -66.35 -49.18 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.407 ' CZ ' ' HD2' ' A' ' 114' ' ' ARG . 8.5 t80 -50.23 -59.81 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.03 -59.09 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.6 tp -44.43 -62.2 1.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -55.54 -49.67 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 110' ' ' TYR . 14.9 ttt-85 -44.69 116.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -134.88 -73.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -108.45 140.82 22.13 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.576 0.703 . . . . 0.0 111.126 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 175.84 7.53 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.47 172.45 0.66 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.8 ttm105 -63.26 129.6 93.62 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 178.84 4.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -96.36 121.62 38.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -81.41 110.1 16.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.01 65.67 1.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -143.6 118.99 10.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -115.79 103.08 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.5 -150.44 11.45 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.1 77.62 1.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.505 HG21 ' CB ' ' A' ' 12' ' ' SER . 26.5 mm -107.18 158.82 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.623 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 27.0 mtt180 -88.86 -69.51 0.1 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.4 Cg_endo -69.79 -52.66 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.505 ' CB ' HG21 ' A' ' 9' ' ' ILE . 24.0 t -48.23 -53.99 15.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -65.21 -54.26 32.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.6 tp -42.75 -49.35 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.413 ' CD1' HD21 ' A' ' 33' ' ' LEU . 38.3 tp -52.52 -53.0 51.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.8 m -44.13 -51.69 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -54.67 -60.31 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.5 m -48.87 -55.45 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -45.13 -49.53 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' CB ' ' A' ' 23' ' ' GLU . 12.9 mt-30 -60.32 -53.33 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -46.27 -46.45 17.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.9 p -89.64 28.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 17.0 tt0 -78.58 131.23 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 95.62 -42.11 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 11.9 m-85 -37.03 143.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.83 0.348 . . . . 0.0 110.931 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.87 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.8 mt-30 -88.38 158.22 18.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 43.51 25.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 26' ' ' GLN . 91.0 t -127.59 95.43 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -111.16 104.3 12.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.1 t -94.38 117.12 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.5 p -126.69 -31.12 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -128.65 -175.61 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 15' ' ' LEU . 8.2 mt -121.45 33.85 5.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 p -132.22 -56.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 p -84.61 -38.97 19.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.584 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 14.8 m -49.49 -34.53 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.476 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 1.1 m95 -109.46 36.46 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 ptt85 -89.52 -30.7 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.661 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 4.9 t -91.9 -49.94 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.82 -37.6 1.92 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.752 HD23 ' OD1' ' A' ' 68' ' ' ASN . 41.1 mt -44.39 -38.52 4.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -46.9 -64.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.0 tp -63.84 -47.11 82.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.5 m -49.57 -36.76 24.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.447 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -61.46 -54.9 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.7 mt -50.11 -43.48 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.59 ' HB ' HD12 ' A' ' 55' ' ' ILE . 34.6 mt -68.41 -63.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 2.6 t-80 -45.15 -48.45 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -60.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -71.58 -51.97 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -124.81 89.43 52.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.41 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.81 -17.97 37.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -64.64 -39.22 93.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.646 HD13 ' OE2' ' A' ' 79' ' ' GLU . 29.0 mt -73.66 -43.71 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.893 ' CG2' HD11 ' A' ' 60' ' ' LEU . 67.4 mt -132.39 135.96 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -120.68 93.67 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 41' ' ' LEU . 11.3 t80 -43.76 -60.61 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -39.56 -36.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.9 m -82.93 -39.45 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.893 HD11 ' CG2' ' A' ' 55' ' ' ILE . 83.5 mt -56.59 104.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 2.3 t-20 -61.58 108.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.565 ' HA ' HD11 ' A' ' 41' ' ' LEU . 4.8 pt-20 -48.47 -29.94 4.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 10.3 t0 -74.38 -31.71 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -80.01 51.62 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.661 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -49.06 -59.82 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t -39.94 -55.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -59.84 -50.68 72.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.752 ' OD1' HD23 ' A' ' 41' ' ' LEU . 9.9 m-80 -42.24 -54.9 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -57.76 -67.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -40.89 -42.27 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.457 ' CD2' HD21 ' A' ' 60' ' ' LEU . 54.9 tp -57.05 -65.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.53 -42.69 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.06 -51.98 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.79 -47.19 83.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.77 -44.34 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -71.3 -32.09 68.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -82.88 -12.44 57.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -101.8 -39.27 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.646 ' OE2' HD13 ' A' ' 54' ' ' LEU . 36.8 mt-10 -89.59 -55.2 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.462 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 15.2 m-85 -82.62 -25.04 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.31 23.3 68.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.475 HG21 ' HD3' ' A' ' 108' ' ' LYS . 56.0 mt -93.17 121.4 65.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.11 17.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.278 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 134.9 29.11 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.9 m -70.84 -37.71 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.8 t -129.76 161.15 31.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLY . 73.7 p -89.18 136.36 33.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.17 -49.3 0.84 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -54.64 -56.21 21.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.48 -42.8 92.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.4 tpt -46.84 -44.81 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.75 -36.96 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -59.87 -61.24 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.41 109.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -55.6 -42.68 75.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -133.88 96.2 16.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 171.83 13.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -76.32 129.17 36.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 100' ' ' LEU . 15.4 ptpt -68.92 -40.63 78.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 3.7 mm? -61.04 -59.7 4.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.6 m -50.74 -38.39 47.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.448 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -65.08 -47.52 76.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.8 t -62.84 -59.45 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 19.4 ptm -47.09 -42.1 18.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.419 ' N ' ' HG3' ' A' ' 104' ' ' MET . 61.3 t80 -65.03 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.0 mt -47.17 -45.33 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 m -40.49 -41.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' A' ' 82' ' ' ILE . 15.2 mtpt -50.51 -52.49 38.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -65.9 -50.22 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.455 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 30.4 t80 -41.7 -50.26 4.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.38 -45.6 72.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.1 tp -51.2 -53.01 39.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -73.39 -51.64 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 14.3 ttt-85 -83.35 99.5 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 175.55 -81.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -143.72 140.85 17.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.546 0.689 . . . . 0.0 111.186 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 137.17 34.95 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.704 ' O ' HD12 ' A' ' 118' ' ' LEU . 4.6 pp -100.77 135.18 42.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -142.54 142.7 23.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 124.1 10.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -44.02 123.91 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -88.86 146.63 24.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.33 -171.2 23.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -62.63 110.08 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -68.29 139.45 55.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.38 -112.49 3.5 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -76.79 169.78 17.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 12' ' ' SER . 17.0 mm -115.67 156.06 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.603 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 4.2 mmm180 -84.63 -68.29 0.16 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.2 Cg_endo -69.77 -51.43 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.615 2.21 . . . . 0.0 112.348 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.52 ' HB3' HG21 ' A' ' 9' ' ' ILE . 25.0 t -55.13 -46.4 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -65.17 -46.71 79.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.8 tp -53.91 -48.56 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.5 tp -42.24 -47.42 4.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.9 m -44.5 -56.13 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -48.24 -55.81 9.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.1 m -53.5 -52.73 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -48.28 -47.43 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -57.06 -53.24 60.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -55.55 -38.84 69.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.5 p -92.73 33.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.87 125.36 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 104.18 -42.58 1.86 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 26.8 m-85 -37.26 150.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -95.92 142.71 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 57.6 29.25 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.813 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.43 92.91 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -108.06 96.38 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.3 t -85.57 108.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.8 p -120.83 -27.99 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -131.91 179.78 5.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.457 HD13 HG22 ' A' ' 103' ' ' VAL . 69.9 mt -116.81 25.48 10.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.5 p -130.88 -44.48 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -92.85 -36.52 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.64 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 75.5 m -63.47 -22.39 66.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.459 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.5 m95 -117.86 32.53 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -84.57 -42.84 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 t -84.05 -40.72 18.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 125.65 -33.35 3.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 40' ' ' GLY . 72.0 mt -37.46 -46.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -46.68 -61.27 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.523 HD23 ' HB1' ' A' ' 72' ' ' ALA . 58.9 tp -63.18 -58.52 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.497 ' HB3' HG21 ' A' ' 55' ' ' ILE . 85.7 m -38.2 -31.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -65.95 -51.53 57.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.3 mt -53.94 -42.22 52.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.526 ' HB ' HD12 ' A' ' 55' ' ' ILE . 50.6 mt -71.97 -63.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -42.29 -45.0 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -41.13 -62.08 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -69.67 -47.24 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 -129.38 89.47 47.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.578 0.704 . . . . 0.0 110.816 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -13.78 35.2 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.73 -39.5 73.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.2 mt -65.44 -46.6 79.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.98 ' CG2' HD11 ' A' ' 60' ' ' LEU . 66.4 mt -124.85 129.52 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -108.74 84.2 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.755 ' HA ' HD12 ' A' ' 60' ' ' LEU . 9.2 t80 -41.14 -47.35 3.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -38.28 -44.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -79.4 -46.02 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.98 HD11 ' CG2' ' A' ' 55' ' ' ILE . 25.5 mt -50.83 105.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' ND2' ' HB3' ' A' ' 63' ' ' ASP . 1.8 t30 -110.05 146.41 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 4.1 tp10 -39.97 -57.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 38.5 t0 -49.38 -33.54 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 73.9 m-20 -84.17 46.04 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.36 -64.49 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.0 t -39.54 -51.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.88 -45.27 86.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.433 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 98.0 m-20 -52.2 -56.7 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -56.69 -61.28 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -43.23 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.517 ' CD2' HD21 ' A' ' 60' ' ' LEU . 54.1 tp -54.99 -66.29 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -45.87 -48.21 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -58.01 -45.89 86.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.16 -58.19 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.4 t -53.47 -34.17 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -75.49 -36.25 60.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -80.2 -12.82 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -101.03 -48.31 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.55 ' N ' ' CD ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.09 -55.51 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 4.4 m-85 -82.72 -20.84 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.77 35.37 79.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 75.5 mt -108.04 124.21 35.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 126.04 12.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 132.9 24.29 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.88 -28.55 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.523 HG21 ' SD ' ' A' ' 91' ' ' MET . 8.9 t -137.11 160.45 38.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLY . 76.4 p -94.07 139.95 30.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -35.17 -50.94 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -53.46 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -50.02 -45.79 52.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.523 ' SD ' HG21 ' A' ' 86' ' ' THR . 8.3 tpt -48.87 -44.34 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.74 -37.41 35.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 m -46.88 -65.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.68 108.6 8.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -43.95 -56.99 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 0.7 OUTLIER -107.89 108.92 61.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.905 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.4 Cg_endo -69.69 -168.5 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 99' ' ' LYS . 14.7 m-20 -90.44 100.26 13.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 98' ' ' ASP . 28.3 ttpt -34.74 -41.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -68.04 -56.27 9.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -49.21 -38.14 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.8 mmm -69.08 -50.84 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.457 HG22 HD13 ' A' ' 33' ' ' LEU . 55.0 t -59.31 -53.91 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 4.0 ptt? -52.4 -40.17 61.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.432 ' N ' ' HG3' ' A' ' 104' ' ' MET . 30.8 t80 -68.83 -48.71 62.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.885 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.411 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 53.7 mt -54.07 -43.4 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 p -40.95 -50.56 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -49.18 -49.98 40.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -68.18 -52.2 37.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.525 ' CE2' ' HD3' ' A' ' 114' ' ' ARG . 35.9 t80 -47.13 -54.22 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.14 -44.86 87.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 tp -44.34 -59.08 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.3 -49.59 68.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.525 ' HD3' ' CE2' ' A' ' 110' ' ' TYR . 12.5 ttp85 -42.92 -49.26 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.42 139.29 2.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.5 p -66.86 143.96 98.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.543 0.687 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 177.75 5.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -44.15 147.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -147.75 130.77 8.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -179.55 3.01 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.899 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p -157.94 175.94 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -99.48 -46.83 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.37 124.39 5.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -103.06 -49.13 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -110.76 128.75 55.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.3 -106.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -72.75 128.23 34.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.752 0.311 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.892 HG22 ' HD2' ' A' ' 11' ' ' PRO . 5.5 mt -86.78 148.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.48 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 45.7 mtt180 -34.35 -60.45 0.5 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.892 ' HD2' HG22 ' A' ' 9' ' ' ILE . 53.5 Cg_endo -69.74 -49.23 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' PRO . 18.6 m -34.19 -56.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -43.1 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -45.15 -49.13 12.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.582 HD11 HG12 ' A' ' 30' ' ' VAL . 23.2 tp -51.56 -53.59 36.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.3 m -42.49 -55.86 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -53.2 -56.27 17.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.0 m -51.51 -45.58 62.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -54.93 -53.13 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -53.61 -55.93 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -51.76 -51.57 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.437 ' HA ' ' CD1' ' A' ' 25' ' ' TYR . 28.7 p -104.15 45.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -92.32 -18.68 23.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.19 26.16 12.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.437 ' CD1' ' HA ' ' A' ' 22' ' ' THR . 17.6 m-85 -97.93 139.96 32.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' O ' HG23 ' A' ' 28' ' ' VAL . 59.7 mt-30 -76.87 137.94 39.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 60.43 30.02 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 26' ' ' GLN . 92.6 t -128.77 95.97 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -114.15 89.02 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.582 HG12 HD11 ' A' ' 15' ' ' LEU . 78.7 t -72.97 101.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.9 m -109.76 -38.47 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.42 173.58 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 11.6 mt -107.81 32.56 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.6 p -132.28 -57.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.9 p -83.74 -38.45 21.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 18.8 m -59.82 -27.23 66.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.55 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 5.2 m95 -110.87 27.38 9.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 ptt85 -84.14 -37.81 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.491 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 32.2 t -88.8 -45.7 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.91 -32.57 3.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.03 -40.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -52.59 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.08 -54.63 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.406 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 66.9 m -41.33 -40.99 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HB1' ' CE2' ' A' ' 25' ' ' TYR . . . -58.09 -51.69 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.4 mt -53.24 -53.74 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mt -55.79 -58.27 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.482 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 5.3 t-80 -47.01 -45.35 21.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -42.6 -64.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -63.81 -50.06 70.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.9 mmt-85 -132.14 90.31 35.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.482 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.75 -8.04 22.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.45 -34.86 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.84 -48.23 55.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.661 ' CG2' HD11 ' A' ' 60' ' ' LEU . 55.2 mt -123.97 139.8 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -118.75 94.89 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.436 ' HA ' HD12 ' A' ' 60' ' ' LEU . 28.9 t80 -48.21 -43.97 32.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.25 -37.15 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.7 t -82.26 -40.48 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.661 HD11 ' CG2' ' A' ' 55' ' ' ILE . 68.1 mt -52.47 118.92 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.2 t30 -102.1 118.41 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -40.48 -49.01 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 13.2 m-20 -59.78 -34.36 72.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' ASN . 29.2 m-20 -82.3 49.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -56.4 -62.0 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ALA . 85.1 t -35.49 -47.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -73.69 -45.83 50.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -49.46 -58.41 5.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' GLN . 81.2 m-20 -56.98 -69.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' ASN . 5.2 mm-40 -36.43 -41.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 75' ' ' VAL . 59.0 tp -60.21 -58.61 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.21 -43.99 67.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.98 -51.43 69.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -59.83 -43.75 94.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 71' ' ' LEU . 81.9 t -61.42 -35.51 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -80.1 -36.06 35.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -78.25 -16.41 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -98.14 -37.21 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -93.22 -55.31 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 14.1 m-85 -82.74 -23.11 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.04 33.91 65.11 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.4 mt -105.6 118.82 54.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 122.98 9.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.484 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 53.6 Cg_endo -69.79 136.8 33.83 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.628 2.219 . . . . 0.0 112.337 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.3 m -69.17 -28.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.463 HG21 ' SD ' ' A' ' 91' ' ' MET . 7.3 t -135.82 160.09 39.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.2 p -96.53 133.71 40.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.21 -47.76 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -48.37 -53.81 16.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -71.7 -46.37 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.463 ' SD ' HG21 ' A' ' 86' ' ' THR . 10.9 tpt -41.29 -43.31 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.27 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -56.5 -59.17 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.28 112.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -51.09 -59.63 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -121.82 96.35 47.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.79 20.54 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.68 132.62 36.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.553 ' HG3' HD22 ' A' ' 100' ' ' LEU . 9.9 ptmm? -68.97 -45.8 69.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.553 HD22 ' HG3' ' A' ' 99' ' ' LYS . 4.3 mm? -51.12 -62.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.2 t -51.11 -34.23 29.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -68.95 -50.31 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 104' ' ' MET . 93.2 t -59.38 -63.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 15.2 ptp -37.47 -38.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.484 ' CE1' ' HA ' ' A' ' 84' ' ' PRO . 71.9 t80 -76.91 -61.04 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.478 HD21 ' CE3' ' A' ' 37' ' ' TRP . 42.6 mt -39.08 -46.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -43.41 -46.74 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -38.47 -50.57 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.0 -51.46 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.418 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 63.9 t80 -40.39 -46.36 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -73.41 -44.38 58.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.4 tp -49.61 -57.46 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -68.59 -47.5 66.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 65.1 ttp85 -60.1 102.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -85.34 -111.72 0.72 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -77.57 140.89 64.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.722 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.19 39.2 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.709 2.272 . . . . 0.0 112.355 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.2 mt -63.19 169.36 3.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -147.26 114.07 4.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 90.42 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -101.85 137.17 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -90.31 113.88 25.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.71 -170.98 30.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 m -88.15 147.96 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.355 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -153.72 106.33 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.78 130.29 2.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.04 171.15 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.343 . . . . 0.0 110.846 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.5 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 24.8 mm -87.23 152.59 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.568 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 23.1 mtt-85 -84.71 -66.97 0.19 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.649 0.737 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 54.3 Cg_endo -69.73 15.31 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.5 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 10.5 t -89.2 -57.48 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -59.26 -41.85 89.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.17 -58.22 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.73 -48.13 15.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.2 m -45.97 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -46.81 -52.55 13.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.1 m -58.08 -44.18 87.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -58.58 -37.1 75.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -68.15 -47.7 67.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -60.69 -49.34 77.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 19.3 p -65.6 -40.64 92.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' THR . 47.0 tt0 -35.73 129.65 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.54 -44.27 1.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -53.13 171.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.82 ' O ' HG23 ' A' ' 28' ' ' VAL . 35.7 mt-30 -108.33 153.79 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 47.14 26.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 26' ' ' GLN . 87.0 t -124.45 95.62 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 12.2 p-10 -112.06 102.95 11.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -90.19 111.11 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.1 p -120.13 -35.5 3.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -125.69 -179.38 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -118.74 25.98 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -130.23 -38.71 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.6 p -99.59 -37.95 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -56.2 -32.82 64.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.455 ' N ' ' CD1' ' A' ' 37' ' ' TRP . 2.3 m95 -106.96 32.74 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -86.07 -37.41 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.427 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 25.2 t -89.61 -41.27 12.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 127.88 -36.93 2.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.865 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 70.0 mt -35.29 -52.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.46 -61.06 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.46 -59.7 4.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.3 m -42.48 -35.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.1 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.38 -55.34 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.583 ' HB ' HD12 ' A' ' 55' ' ' ILE . 21.8 mt -64.08 -56.57 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -43.48 -35.69 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.6 tpt85 -63.76 -64.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -62.29 -55.11 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -125.14 89.47 52.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -23.63 30.29 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -61.22 -32.82 72.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 55.0 mt -76.46 -48.08 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.583 HD12 ' HB ' ' A' ' 47' ' ' ILE . 63.5 mt -123.58 125.4 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 87.35 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.865 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 22.1 t80 -37.79 -42.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -35.96 -44.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -78.87 -43.53 24.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 57' ' ' PHE . 58.4 mt -51.27 101.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.8 t30 -94.52 139.25 31.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.506 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 21.5 mt-10 -38.65 -58.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.28 -24.78 67.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.5 m-20 -78.92 44.79 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -62.57 -56.68 15.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.8 t -47.93 -47.39 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.07 -46.94 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 48.4 m-20 -57.79 -58.87 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -49.84 -59.5 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.43 -44.77 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.61 -67.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.49 -37.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' HD1' ' HH ' ' A' ' 105' ' ' TYR . 23.8 m-85 -71.8 -54.02 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -51.04 -45.41 61.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.17 -34.71 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -65.61 -33.85 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -90.18 -12.18 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -94.31 -35.82 12.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.26 -55.05 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 5.2 m-85 -84.75 -23.35 29.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 69.07 34.72 76.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 87.6 mt -102.66 126.05 34.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 133.68 26.07 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 156.18 64.23 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.688 2.259 . . . . 0.0 112.393 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.5 m -98.51 -32.88 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.428 HG21 ' SD ' ' A' ' 91' ' ' MET . 8.0 t -135.33 162.01 33.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' GLY . 81.6 p -92.35 136.58 33.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -38.35 -48.3 2.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -52.91 -58.57 6.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -59.11 -43.05 91.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.428 ' SD ' HG21 ' A' ' 86' ' ' THR . 8.1 tpt -46.75 -44.74 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.65 -37.68 24.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -61.19 -62.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.13 114.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -62.2 -45.16 94.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -128.03 96.4 31.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.7 6.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.315 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.87 107.55 10.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.623 ' HD2' HD22 ' A' ' 100' ' ' LEU . 12.2 tmtt? -48.45 -54.45 14.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.623 HD22 ' HD2' ' A' ' 99' ' ' LYS . 4.3 mm? -52.79 -58.08 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.7 m -48.69 -33.77 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 36.4 mmm -74.62 -49.35 21.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.03 -39.96 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 22.9 ptm -70.77 -44.28 67.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.538 ' HH ' ' HD1' ' A' ' 73' ' ' PHE . 92.7 t80 -62.04 -44.61 96.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.04 -45.82 91.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.7 t -39.94 -42.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -51.12 -49.06 61.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -71.95 -44.29 63.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.466 ' CE1' ' HD2' ' A' ' 114' ' ' ARG . 24.5 t80 -52.54 -57.51 9.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -60.43 -56.43 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 tp -46.78 -53.76 11.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -62.88 -51.4 67.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.466 ' HD2' ' CE1' ' A' ' 110' ' ' TYR . 12.0 ttt85 -50.75 -62.42 1.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 176.81 -115.58 0.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.551 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -97.7 140.88 22.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.71 . . . . 0.0 111.124 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 167.12 25.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.5 mt -89.43 149.38 22.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -56.39 147.06 50.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.567 0.699 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 104.04 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.5 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 p -129.75 127.5 40.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 m -57.94 -52.13 66.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.81 83.14 0.31 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -156.52 169.75 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.822 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 m -118.02 102.36 8.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.76 -130.66 6.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -86.74 162.57 17.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 12' ' ' SER . 82.7 mt -51.31 118.34 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 10.2 mtp85 -71.73 -59.26 3.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.571 0.7 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.7 Cg_endo -69.77 4.95 1.89 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.599 ' N ' HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -45.32 -64.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -57.3 -47.94 80.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -47.45 -56.98 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.4 tp -48.59 -64.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.5 m -39.22 -58.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -45.8 -56.63 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.1 m -56.4 -49.48 74.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -50.2 -52.61 34.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -56.47 -58.22 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' O ' ' NH2' ' A' ' 49' ' ' ARG . 95.4 mm-40 -53.12 -36.24 60.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.418 ' CG2' HG13 ' A' ' 46' ' ' ILE . 42.2 p -110.15 40.65 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.37 -20.46 14.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.34 -28.55 30.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.958 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 13.3 m-85 -53.37 164.2 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -99.27 138.94 35.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 59.73 33.78 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 25' ' ' TYR . 96.9 t -121.33 96.95 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -108.97 87.56 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.57 112.18 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -122.09 -32.59 3.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.44 179.98 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 11' ' ' PRO . 6.7 mt -117.25 33.42 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -132.79 -60.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -86.01 -36.95 19.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.2 m -56.16 -32.76 64.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.479 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 3.3 m95 -108.56 30.13 6.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -82.52 -37.82 24.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.573 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 97.6 p -80.21 -46.75 15.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.496 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 126.32 -43.95 1.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' GLY . 73.1 mt -35.21 -41.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.02 -68.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.6 -51.82 68.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -41.52 -34.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.958 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -66.03 -59.8 3.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.418 HG13 ' CG2' ' A' ' 22' ' ' THR . 90.2 mt -42.82 -56.67 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.524 ' HB ' HD12 ' A' ' 55' ' ' ILE . 59.8 mt -55.91 -63.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 52' ' ' PRO . 4.5 t-80 -38.65 -46.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 21' ' ' GLN . 7.9 tpp85 -40.15 -59.94 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.724 ' CD1' ' CE1' ' A' ' 113' ' ' PHE . 82.9 m-85 -71.59 -49.1 43.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HB2' HD12 ' A' ' 54' ' ' LEU . 1.5 mpt_? -126.51 89.4 52.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.503 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.75 -13.47 34.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -76.66 -39.19 52.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 51' ' ' ARG . 25.5 mt -63.93 -40.91 97.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.524 HD12 ' HB ' ' A' ' 47' ' ' ILE . 75.6 mt -131.3 139.0 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.438 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 0.2 OUTLIER -115.57 80.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.736 ' HA ' HD12 ' A' ' 60' ' ' LEU . 3.7 t80 -41.83 -63.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -39.15 -38.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.438 ' HB3' ' ND2' ' A' ' 56' ' ' ASN . 15.0 t -77.36 -37.38 52.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 57' ' ' PHE . 74.6 mt -53.27 102.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.69 120.42 11.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 6.0 pt-20 -46.96 -35.14 6.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 4.7 t70 -77.55 -34.97 53.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.58 49.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -56.83 -53.05 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.481 HG13 ' CA ' ' A' ' 89' ' ' LYS . 92.4 t -45.58 -57.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.53 -50.91 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -52.07 -45.9 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.496 ' OD1' ' CA ' ' A' ' 40' ' ' GLY . 77.4 m-20 -58.36 -62.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -42.08 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 tp -54.27 -63.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.62 -45.39 57.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.07 -42.6 98.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.27 -57.17 11.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.9 t -50.32 -50.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.426 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -53.44 -32.98 52.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.044 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -87.31 -12.44 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -93.07 -32.0 14.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.62 -54.2 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 8.1 m-85 -85.06 -22.91 28.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.51 34.05 67.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.0 mt -101.0 117.44 62.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.08 22.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.56 45.53 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -80.56 -29.96 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.9 t -137.88 160.31 39.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 20.3 p -89.36 133.88 34.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.37 -57.08 1.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.481 ' CA ' HG13 ' A' ' 66' ' ' VAL . 7.0 ttmt -45.65 -54.87 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.704 0.288 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -61.1 -38.32 85.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.0 tpt -51.79 -38.4 55.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.32 -36.64 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m -60.62 -66.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.5 121.31 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 16.1 pt20 -62.65 -47.1 85.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 7.4 tt0 -134.98 103.89 10.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.687 0.755 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.5 Cg_endo -69.79 -179.91 3.25 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 99' ' ' LYS . 1.7 m-20 -81.94 102.28 10.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.47 ' O ' HG23 ' A' ' 103' ' ' VAL . 11.5 tmtt? -34.52 -45.65 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.97 -67.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -39.03 -39.06 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.1 mmm -70.57 -57.88 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 99' ' ' LYS . 75.8 t -53.64 -56.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 15.6 ptp -46.71 -32.15 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -82.57 -45.44 14.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.81 -52.33 65.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.7 p -39.14 -50.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -38.4 -46.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -73.3 -48.89 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -40.55 -59.91 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -60.54 -49.36 77.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.2 tp -46.3 -57.24 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.724 ' CE1' ' CD1' ' A' ' 50' ' ' PHE . 35.9 m-85 -67.66 -52.04 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 113' ' ' PHE . 20.5 tpt180 -34.5 -50.4 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 147.07 77.95 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -48.65 140.88 10.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 111.139 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 171.9 13.62 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.36 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.07 149.56 46.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -44.76 154.44 0.43 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 151.27 68.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -112.96 -50.62 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 m -130.64 122.2 26.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.77 -78.46 0.52 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.455 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t -44.39 -52.78 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -42.42 112.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.76 161.9 32.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -125.36 169.71 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.319 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.727 HG21 ' CB ' ' A' ' 12' ' ' SER . 60.5 mt -80.2 149.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.589 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 31.3 mtt180 -82.05 -67.5 0.21 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.6 Cg_endo -69.78 -58.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.727 ' CB ' HG21 ' A' ' 9' ' ' ILE . 11.8 t -39.46 -55.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -59.47 -50.92 72.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.3 tp -46.78 -49.58 19.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -53.86 -47.95 70.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.3 m -55.62 -60.82 2.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.434 ' CZ3' ' HA ' ' A' ' 110' ' ' TYR . 89.9 t90 -50.85 -40.89 57.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.97 -43.98 90.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.71 -44.24 90.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -59.87 -60.15 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -46.88 -54.74 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -63.83 -35.62 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -40.02 141.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.34 -41.96 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CE1' ' HB1' ' A' ' 45' ' ' ALA . 14.8 m-85 -52.85 161.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 28' ' ' VAL . 12.9 pt20 -97.01 145.39 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 51.05 35.76 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 26' ' ' GLN . 56.4 t -127.2 96.8 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -111.36 104.42 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -95.82 110.27 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.5 p -119.98 -36.32 3.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -122.02 -176.81 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 mt -117.59 14.45 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -118.23 -40.56 2.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.1 p -99.53 -37.99 8.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -51.45 -32.18 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.43 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 2.9 m95 -108.72 31.38 5.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -86.13 -37.91 18.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.5 t -82.9 -47.7 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 129.66 -41.74 1.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.771 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 77.7 mt -34.36 -43.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.91 -60.89 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.637 HD23 ' HB1' ' A' ' 72' ' ' ALA . 49.8 tp -62.06 -60.49 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 94.4 m -42.39 -45.14 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HB1' ' CE1' ' A' ' 25' ' ' TYR . . . -51.79 -49.54 62.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -57.64 -47.04 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.563 ' HB ' HD12 ' A' ' 55' ' ' ILE . 55.9 mt -64.09 -62.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -45.33 -44.1 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -40.31 -62.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -73.35 -48.25 35.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -122.94 89.48 50.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -19.45 35.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.232 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.14 -42.61 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.5 mt -59.02 -48.55 81.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.563 HD12 ' HB ' ' A' ' 47' ' ' ILE . 79.9 mt -125.73 139.73 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.463 ' ND2' ' HB2' ' A' ' 59' ' ' SER . 5.4 t30 -118.34 95.44 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.771 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 17.9 t80 -45.37 -52.57 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -38.3 -29.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.463 ' HB2' ' ND2' ' A' ' 56' ' ' ASN . 29.1 t -85.52 -45.98 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.596 HD21 HD23 ' A' ' 71' ' ' LEU . 30.5 mt -50.45 118.06 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -106.61 119.3 38.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' ASN . 17.4 tt0 -37.44 -50.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -37.26 79.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 61' ' ' ASN . 12.9 m-20 -79.7 49.38 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' VAL . . . -52.33 -61.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' ALA . 98.9 t -37.39 -59.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -57.91 -51.42 69.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -44.52 -56.74 4.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.456 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 73.3 m-80 -58.4 -60.09 4.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -41.31 -42.87 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.596 HD23 HD21 ' A' ' 60' ' ' LEU . 59.2 tp -57.73 -61.82 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.637 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -49.18 -46.29 45.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.091 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 23.7 m-85 -61.51 -47.51 85.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -58.96 -46.91 86.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.8 t -63.08 -35.73 72.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -65.29 -36.17 83.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -92.49 -12.02 33.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -92.61 -34.89 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.86 -55.02 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.588 ' CD1' HD21 ' A' ' 112' ' ' LEU . 19.7 m-85 -86.23 -24.38 26.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 73.45 32.51 59.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.4 mt -96.64 123.09 55.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.429 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 54.0 Cg_endo -69.76 132.17 22.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 105' ' ' TYR . 27.1 m -65.13 -35.5 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.3 t -137.9 158.05 45.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 88' ' ' GLY . 28.0 p -95.48 143.07 27.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.9 -46.14 0.61 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -57.93 -64.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.73 0.3 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -53.33 -35.26 60.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -55.67 -58.25 8.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.55 87.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 t -59.95 -59.63 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.1 112.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -57.36 -57.49 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -122.81 97.87 43.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 165.69 30.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -75.1 143.15 43.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.703 ' O ' HG23 ' A' ' 103' ' ' VAL . 11.1 ptpp? -83.5 -38.57 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -49.17 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -62.78 -41.82 99.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.3 mmt -63.81 -47.63 80.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 99' ' ' LYS . 93.0 t -63.31 -58.14 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -51.72 -39.35 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.433 ' CD1' HG13 ' A' ' 85' ' ' VAL . 87.2 t80 -71.05 -50.59 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.425 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 38.0 mt -57.07 -44.55 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -40.94 -46.66 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -43.66 -53.04 6.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -66.7 -52.05 49.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.434 ' HA ' ' CZ3' ' A' ' 17' ' ' TRP . 4.5 t80 -44.36 -57.39 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -64.74 -48.55 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 80' ' ' PHE . 59.1 tp -45.76 -48.43 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -77.12 -45.28 27.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -41.33 -46.67 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 141.95 100.75 0.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 54.9 p -85.28 141.61 37.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 0.0 111.123 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 172.94 11.78 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.3 mt -90.06 125.49 35.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.447 ' CG ' ' HD2' ' A' ' 120' ' ' PRO . 42.9 ttp85 -74.56 138.7 74.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 119' ' ' ARG . 53.7 Cg_endo -69.76 107.11 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 2.241 . . . . 0.0 112.294 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.871 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -104.22 112.17 25.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p -76.22 157.95 32.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.75 -50.55 0.89 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -129.85 134.12 47.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 m -106.47 -176.38 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.54 -50.41 0.84 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -127.4 28.13 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.593 HG22 ' N ' ' A' ' 10' ' ' ARG . 6.0 mm -107.6 166.91 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.644 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 7.5 mmm180 -95.05 -70.38 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.644 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 54.0 Cg_endo -69.78 -53.85 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.495 ' HB2' HG21 ' A' ' 9' ' ' ILE . 12.4 m -38.91 -47.59 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -58.49 -56.6 19.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 tp -48.12 -46.22 33.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.8 tp -49.48 -45.91 47.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -53.11 -55.21 25.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -49.88 -52.46 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.9 m -58.33 -50.07 74.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -56.98 -34.01 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -67.34 -51.44 52.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -57.46 -51.17 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.1 p -65.13 -35.31 80.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -38.44 126.14 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.82 -39.61 2.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -53.9 169.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.74 ' O ' HG23 ' A' ' 28' ' ' VAL . 34.0 mt-30 -102.1 149.13 24.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.4 m170 45.23 34.4 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 26' ' ' GLN . 73.3 t -125.8 97.9 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -116.34 107.85 15.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.8 t -98.88 110.98 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.7 p -122.29 -37.65 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.34 140.24 52.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mt -83.78 37.81 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.1 p -134.82 -46.95 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 p -101.64 -21.86 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.552 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 28.0 p -67.45 -14.89 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.552 ' CD1' ' OG ' ' A' ' 36' ' ' SER . 16.0 m95 -115.34 5.72 14.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -65.34 -40.84 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -76.99 -39.97 48.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.92 -39.72 2.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -38.63 -40.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -49.26 -61.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.473 HD23 ' HB1' ' A' ' 72' ' ' ALA . 34.9 tp -62.64 -48.72 78.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.405 ' HB3' HG21 ' A' ' 55' ' ' ILE . 61.3 m -50.01 -40.65 45.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.94 -47.05 87.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.7 mt -59.88 -48.28 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.29 -62.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 52' ' ' PRO . 2.2 t-80 -47.2 -44.59 22.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -41.02 -63.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -69.47 -45.84 68.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -128.39 89.49 49.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 54.5 Cg_endo -69.75 -8.13 22.82 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -76.5 -40.28 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 62.3 mt -63.2 -46.56 86.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.697 ' CG2' HD11 ' A' ' 60' ' ' LEU . 78.2 mt -127.18 143.52 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -118.61 93.33 4.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.619 ' HA ' HD12 ' A' ' 60' ' ' LEU . 10.4 t80 -47.33 -57.91 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.04 -31.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -86.0 -40.61 15.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.697 HD11 ' CG2' ' A' ' 55' ' ' ILE . 61.0 mt -53.33 114.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 1.3 t30 -95.77 121.26 37.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 63' ' ' ASP . 2.2 pm0 -46.19 -47.32 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 1.5 m-20 -58.78 -27.94 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -90.65 43.77 1.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.48 -51.44 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.2 t -45.13 -54.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -64.94 -49.65 69.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 88.7 m-20 -47.04 -52.16 15.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -60.89 -62.09 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.03 -48.13 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.496 HD23 HD21 ' A' ' 60' ' ' LEU . 51.3 tp -53.0 -63.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.473 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -46.29 -50.5 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -54.39 -52.06 62.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.26 -54.17 48.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.8 t -50.53 -37.33 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.79 81.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -92.11 -12.17 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -93.35 -34.75 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -102.21 -55.28 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -85.12 -24.02 28.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.32 23.13 74.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 90.5 mt -87.42 124.94 67.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.33 15.84 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 157.15 61.43 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.2 m -99.32 -34.16 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.8 t -136.61 167.24 21.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 22.2 p -103.79 139.19 39.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.0 -49.3 1.47 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -56.53 -61.04 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -54.16 -32.35 55.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -51.07 50.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.89 -6.72 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -94.32 -49.03 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.6 116.87 10.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -64.29 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 9.5 tt0 -136.6 104.93 9.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.634 0.731 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.5 Cg_endo -69.76 175.9 7.49 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 99' ' ' LYS . 9.0 t0 -78.56 104.36 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.468 ' O ' HG23 ' A' ' 103' ' ' VAL . 38.1 mtmt -34.37 -41.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.484 ' C ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -67.21 -65.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LEU . 38.8 t -36.96 -45.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.444 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -62.1 -56.41 19.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 99' ' ' LYS . 76.6 t -54.63 -62.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.422 ' HE3' ' HG ' ' A' ' 100' ' ' LEU . 17.4 ptp -41.47 -28.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -82.05 -56.75 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.506 HD22 ' CH2' ' A' ' 37' ' ' TRP . 20.5 mt -52.95 -44.36 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -39.83 -50.32 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -50.5 -47.24 57.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -68.52 -56.26 8.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -41.73 -56.04 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -67.98 -46.17 72.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.8 tp -46.0 -55.63 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -80.38 -50.28 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.64 118.19 25.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.03 68.78 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.577 HG22 ' HD2' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -43.43 138.01 2.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.544 0.688 . . . . 0.0 111.168 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.577 ' HD2' HG22 ' A' ' 116' ' ' THR . 53.8 Cg_endo -69.78 -175.32 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.71 ' H ' HD12 ' A' ' 118' ' ' LEU . 6.3 mp -39.45 124.4 1.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 120' ' ' PRO . 33.9 ttm-85 -119.89 94.13 48.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 119' ' ' ARG . 53.9 Cg_endo -69.7 87.53 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.877 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 m -89.08 42.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -100.23 127.17 46.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.14 134.94 8.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 t -104.74 41.45 1.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 m -144.23 128.82 18.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.24 121.49 4.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.56 148.43 38.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.319 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.65 HG21 ' CB ' ' A' ' 12' ' ' SER . 25.9 mm -95.6 156.49 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.61 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 25.4 mtt180 -87.65 -69.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 54.3 Cg_endo -69.65 -54.03 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.65 ' CB ' HG21 ' A' ' 9' ' ' ILE . 28.5 t -43.05 -53.9 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -52.81 -51.44 60.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -49.44 -52.69 27.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD21 ' O ' ' A' ' 31' ' ' THR . 45.3 tp -53.59 -42.44 67.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -59.8 -49.5 77.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.196 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -58.44 -44.28 89.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.7 m -65.83 -47.71 74.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -51.88 -40.96 61.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -63.28 -53.54 51.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -58.69 -47.86 83.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.439 HG21 HG21 ' A' ' 30' ' ' VAL . 8.1 p -67.82 -31.74 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.148 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -44.41 136.26 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.95 -41.38 2.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -57.34 155.05 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.9 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.404 ' O ' HG23 ' A' ' 28' ' ' VAL . 10.1 mm-40 -94.55 143.94 26.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 57.01 32.92 22.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 26' ' ' GLN . 79.6 t -128.87 96.44 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -110.68 105.72 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.439 HG21 HG21 ' A' ' 22' ' ' THR . 98.7 t -101.81 104.59 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.455 ' O ' HD21 ' A' ' 15' ' ' LEU . 35.5 p -118.69 -35.54 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -121.77 178.94 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 9.6 mt -118.46 34.03 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.98 -54.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.9 p -86.85 -39.36 15.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -56.05 -28.43 57.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.495 ' CZ3' HD22 ' A' ' 106' ' ' LEU . 4.6 m95 -110.08 27.59 9.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -82.5 -37.02 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.441 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 12.9 t -86.9 -45.65 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 128.63 -37.02 2.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' GLY . 54.3 mt -36.12 -51.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.35 -65.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.37 -56.68 18.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.1 m -40.25 -42.11 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.17 86.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.86 -49.22 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.521 ' HB ' HD12 ' A' ' 55' ' ' ILE . 66.5 mt -64.22 -62.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.45 ' CD2' ' HB3' ' A' ' 52' ' ' PRO . 5.0 t-80 -41.16 -46.39 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.0 tpt85 -40.73 -63.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.425 ' C ' ' HD2' ' A' ' 51' ' ' ARG . 93.0 m-85 -63.4 -52.33 62.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HD2' ' C ' ' A' ' 50' ' ' PHE . 7.3 mpt_? -130.39 92.32 35.79 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.75 -8.09 22.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.31 -40.32 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 mt -66.19 -57.97 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.846 ' CG2' HD11 ' A' ' 60' ' ' LEU . 67.3 mt -113.35 137.81 45.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -117.46 84.18 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.588 ' HA ' HD12 ' A' ' 60' ' ' LEU . 6.6 t80 -42.0 -52.57 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 57' ' ' PHE . 6.6 m-20 -37.5 -41.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.6 t -80.99 -44.78 17.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.846 HD11 ' CG2' ' A' ' 55' ' ' ILE . 51.2 mt -50.84 117.41 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 1.9 t30 -111.1 141.88 44.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.498 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 12.2 mt-10 -42.42 -55.44 3.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.65 -32.75 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 4.2 m-20 -86.21 42.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -62.0 -49.52 75.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.73 -50.52 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -65.76 -48.33 72.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 90.5 m-20 -48.89 -58.29 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -51.79 -61.06 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -44.86 -47.93 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.8 tp -53.78 -64.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.21 -48.43 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -59.1 -50.13 75.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -58.17 -56.16 25.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -50.71 -40.63 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -69.07 -31.61 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -83.26 -13.65 54.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -99.42 -33.74 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.16 -55.14 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -84.4 -21.35 30.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 69.35 33.76 73.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.717 HD12 ' CE1' ' A' ' 109' ' ' PHE . 62.5 mt -102.2 116.87 62.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.4 11.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.318 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.546 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 53.2 Cg_endo -69.81 138.38 37.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.295 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.16 -27.56 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.483 HG21 ' SD ' ' A' ' 91' ' ' MET . 9.0 t -135.63 153.78 51.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLY . 73.0 p -95.68 139.69 31.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.73 -51.01 0.78 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -48.29 -59.15 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.25 -48.19 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.483 ' SD ' HG21 ' A' ' 86' ' ' THR . 10.8 tpt -48.18 -42.04 28.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.11 -38.68 24.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -60.52 -60.32 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.34 114.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -55.64 -51.88 65.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 18.1 tt0 -132.28 99.81 15.84 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.9 Cg_endo -69.71 179.61 3.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.06 126.34 35.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.778 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -60.41 -30.37 69.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.58 HD22 ' HG2' ' A' ' 99' ' ' LYS . 3.4 mm? -67.49 -56.73 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.1 p -53.95 -38.08 64.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 51.5 mmm -70.58 -54.15 13.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 99' ' ' LYS . 95.0 t -55.84 -50.98 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 19.7 ptm -54.61 -37.86 66.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.546 ' CE1' ' HA ' ' A' ' 84' ' ' PRO . 60.6 t80 -73.66 -64.69 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.495 HD22 ' CZ3' ' A' ' 37' ' ' TRP . 9.1 mt -46.75 -44.56 19.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.1 m -44.49 -46.0 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -47.28 -40.25 16.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.717 ' CE1' HD12 ' A' ' 82' ' ' ILE . 46.3 m-85 -77.13 -49.42 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -43.03 -53.38 4.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.67 -52.48 30.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.427 ' CD1' ' HB3' ' A' ' 117' ' ' PRO . 22.2 tp -43.93 -48.73 8.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -72.49 -50.71 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -44.13 -45.62 8.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -136.11 -145.13 5.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 p -90.93 154.68 45.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.0 111.145 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.427 ' HB3' ' CD1' ' A' ' 112' ' ' LEU . 54.0 Cg_endo -69.75 118.13 5.5 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.566 ' H ' HD12 ' A' ' 118' ' ' LEU . 5.7 mp -60.37 130.09 44.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -109.19 113.65 58.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.87 49.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 m -58.64 168.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -119.82 121.32 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.23 95.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -90.47 85.43 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 m -104.76 81.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.07 -68.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -44.28 166.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.453 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 50.9 mm -94.55 153.3 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.621 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 20.4 mtt180 -95.3 -69.56 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.621 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.7 Cg_endo -69.75 16.94 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 10' ' ' ARG . 3.8 p -75.21 -42.35 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -77.45 -43.17 33.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 tp -53.39 -51.44 62.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 tp -47.52 -47.55 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.6 m -52.58 -49.7 64.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -55.46 -57.23 12.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.9 m -55.87 -40.03 72.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -63.47 -43.85 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -60.4 -48.35 82.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.18 -49.55 75.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.542 HG21 HG21 ' A' ' 30' ' ' VAL . 25.4 p -67.35 -26.86 66.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -48.19 144.6 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.04 -41.26 2.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.96 162.33 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.956 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' ' 28' ' ' VAL . 36.2 mt-30 -97.9 154.84 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 43.5 27.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 26' ' ' GLN . 53.8 t -123.34 93.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -110.83 109.38 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.542 HG21 HG21 ' A' ' 22' ' ' THR . 91.9 t -103.53 100.68 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.3 p -112.1 -34.75 5.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -125.04 179.64 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.549 HD13 HG22 ' A' ' 103' ' ' VAL . 40.6 mt -116.14 25.25 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 p -124.61 -62.05 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.3 p -81.61 -43.33 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -48.98 -37.91 21.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 5.2 m95 -102.26 31.82 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -87.2 -36.94 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -79.9 -40.15 28.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.23 21.26 10.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 62' ' ' GLU . 70.5 mt -94.75 -40.01 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.8 -51.17 66.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.526 HD23 ' CB ' ' A' ' 72' ' ' ALA . 63.4 tp -60.19 -50.63 72.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.4 m -51.31 -41.71 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.68 83.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.53 -51.5 71.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.747 ' HB ' HD12 ' A' ' 55' ' ' ILE . 16.5 mt -65.19 -55.62 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -49.62 -49.46 46.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -40.08 -56.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -73.02 -48.61 34.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -127.35 89.82 50.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.77 29.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -75.25 -36.98 61.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.35 -43.6 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.747 HD12 ' HB ' ' A' ' 47' ' ' ILE . 76.1 mt -128.0 135.19 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -117.55 93.22 4.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LEU . 34.5 t80 -44.48 -55.66 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' PHE . 11.8 m-20 -36.01 -37.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -81.27 -41.8 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.496 HD21 HD23 ' A' ' 71' ' ' LEU . 64.9 mt -52.46 119.86 4.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.2 t30 -105.94 118.93 37.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HA ' HD11 ' A' ' 41' ' ' LEU . 29.9 tt0 -41.16 -48.77 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -33.67 71.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' ASN . 46.3 m-20 -84.99 46.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.58 -60.92 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.062 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.548 HG11 ' HE3' ' A' ' 89' ' ' LYS . 98.1 t -39.91 -46.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.46 -44.53 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -56.61 -59.28 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -52.78 -61.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.85 -45.63 7.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.496 HD23 HD21 ' A' ' 60' ' ' LEU . 64.5 tp -54.71 -68.92 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.526 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -39.66 -44.89 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -63.05 -53.62 50.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -55.15 -44.46 75.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.1 t -61.56 -41.32 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 80' ' ' PHE . . . -71.75 -31.71 66.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -83.45 -13.05 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -101.55 -34.92 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -93.76 -55.01 3.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.458 ' CD2' ' HA ' ' A' ' 76' ' ' ALA . 10.9 m-85 -83.55 -22.0 32.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.73 31.78 60.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.8 mt -103.49 122.32 45.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 128.79 16.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 144.62 54.44 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.2 m -85.28 -30.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.5 t -136.77 154.95 50.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.0 p -95.94 138.64 33.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.9 -48.54 1.38 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.548 ' HE3' HG11 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -46.22 -53.3 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.9 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.26 -41.42 66.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.1 tpt -50.79 -39.11 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.34 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 m -61.78 -59.07 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.17 125.34 15.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -68.3 -56.44 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 36.4 tt0 -124.24 97.24 40.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.657 0.741 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.5 Cg_endo -69.8 173.18 11.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.254 . . . . 0.0 112.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.35 124.34 27.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.684 ' HG3' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -65.97 -26.37 67.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.684 HD22 ' HG3' ' A' ' 99' ' ' LYS . 3.2 mm? -72.14 -55.34 7.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.4 t -57.28 -29.93 64.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 47.1 mmm -79.07 -53.05 7.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 99' ' ' LYS . 54.8 t -57.63 -40.49 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.431 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 3.6 ptt? -66.39 -41.16 89.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.431 ' N ' ' HG3' ' A' ' 104' ' ' MET . 56.8 t80 -67.44 -53.77 26.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 71.5 mt -50.53 -47.12 57.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.3 m -44.12 -34.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -49.0 -50.01 38.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -77.81 -50.51 12.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -39.45 -49.21 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.1 -54.11 16.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.3 tp -45.39 -50.66 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -76.2 -52.1 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.53 HH11 ' N ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -90.77 102.35 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.53 ' N ' HH11 ' A' ' 114' ' ' ARG . . . 155.32 -83.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -44.9 140.86 3.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 153.91 68.55 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.734 2.29 . . . . 0.0 112.358 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.721 HD23 ' H ' ' A' ' 118' ' ' LEU . 0.9 OUTLIER -86.16 138.82 31.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -94.59 148.17 34.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.77 15.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -163.14 164.63 25.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.856 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 t -57.99 94.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.27 -163.18 17.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' SER . 32.1 t -129.78 -62.04 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 5' ' ' SER . 54.5 p -34.47 137.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.5 -168.5 40.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.583 ' C ' HD13 ' A' ' 9' ' ' ILE . 29.0 m-20 -112.74 -175.11 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.311 . . . . 0.0 110.857 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.583 HD13 ' C ' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -114.38 166.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.549 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 18.1 mmt-85 -78.26 -65.83 0.32 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.825 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 10' ' ' ARG . 53.7 Cg_endo -69.71 2.36 3.57 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.491 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 25.7 t -96.64 -36.5 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -93.31 -26.22 17.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' HG13 ' A' ' 103' ' ' VAL . 29.2 tp -66.63 -40.77 88.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.4 tp -52.91 -54.15 38.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.5 m -45.54 -60.07 2.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -42.84 -57.63 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 70.7 m -52.07 -57.4 9.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -47.65 -43.24 26.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.74 -53.26 57.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -53.86 -44.53 70.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.1 p -83.85 21.3 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -82.55 129.96 35.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.66 -45.44 1.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -48.46 148.29 2.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 28' ' ' VAL . 10.5 mt-30 -94.91 151.55 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 58.35 25.48 12.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 26' ' ' GLN . 85.5 t -127.9 99.15 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -115.22 103.85 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.56 107.76 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.6 p -118.99 -25.47 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -132.98 -175.1 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.553 HD13 HG22 ' A' ' 103' ' ' VAL . 10.6 mt -120.6 29.98 7.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -127.43 -70.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -82.0 -29.49 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 30.2 m -58.81 -15.38 12.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 37' ' ' TRP . 6.1 m95 -124.54 29.72 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -89.78 -35.47 15.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.2 t -76.37 -36.22 58.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.39 -20.75 32.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.657 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 38.3 mt -62.98 -14.76 51.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -73.55 -59.9 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.4 tp -69.95 -44.51 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 72' ' ' ALA . 74.4 m -53.71 -30.97 46.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.5 -48.13 67.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.53 HG22 ' CE2' ' A' ' 113' ' ' PHE . 65.9 mt -58.59 -39.46 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.8 mt -72.85 -51.87 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -67.53 -15.57 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -75.93 -56.64 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.709 ' CE1' ' CG ' ' A' ' 51' ' ' ARG . 1.2 p90 -79.87 -38.88 31.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.709 ' CG ' ' CE1' ' A' ' 50' ' ' PHE . 7.2 mmp_? -135.0 89.56 23.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -23.81 30.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -58.98 -27.82 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.706 HD22 ' HG3' ' A' ' 79' ' ' GLU . 18.2 mt -82.74 -47.54 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' ' 72' ' ' ALA . 4.8 mt -130.92 149.2 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' ND2' ' HB2' ' A' ' 59' ' ' SER . 0.2 OUTLIER -130.92 100.87 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.657 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 7.6 t80 -48.42 -41.98 30.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -43.93 -45.39 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.407 ' HB2' ' ND2' ' A' ' 56' ' ' ASN . 74.4 m -79.76 -21.61 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 57' ' ' PHE . 81.4 mt -71.91 118.08 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 64' ' ' ASP . 1.3 t30 -102.8 120.82 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -43.99 -48.37 8.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -59.52 -30.17 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ASN . 6.3 m-20 -85.52 59.37 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.813 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.66 80.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -52.25 -53.13 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -67.28 -45.44 76.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -50.69 -58.1 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.475 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 74.0 m-80 -55.01 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -40.28 -47.65 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.541 HD23 HD21 ' A' ' 60' ' ' LEU . 57.4 tp -53.5 -68.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -41.96 -50.16 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 14.8 m-30 -57.45 -48.57 78.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -58.8 -44.82 90.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.9 t -58.03 -37.44 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' PHE . . . -65.59 -59.66 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -65.2 -14.4 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.8 ttt85 -89.83 -37.51 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.706 ' HG3' HD22 ' A' ' 54' ' ' LEU . 27.0 mm-40 -105.23 -53.64 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.568 ' CD1' HD21 ' A' ' 112' ' ' LEU . 6.1 m-85 -82.58 -15.49 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 70.23 4.17 49.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.452 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.869 HD13 ' HB3' ' A' ' 108' ' ' LYS . 53.9 mt -74.07 120.89 83.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 111.127 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.24 35.02 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.27 69.17 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.356 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.594 HG13 ' CD1' ' A' ' 105' ' ' TYR . 21.9 m -98.25 -29.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -138.28 154.84 49.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLY . 80.8 p -89.25 132.77 34.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -37.46 -47.74 1.61 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -55.23 -61.32 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.713 0.292 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.32 -42.39 73.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -47.51 -56.76 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.75 61.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -57.92 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.33 107.89 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -51.97 -65.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.38 99.05 48.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.695 0.759 . . . . 0.0 110.834 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -176.26 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -82.71 116.67 22.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.772 ' O ' HG23 ' A' ' 103' ' ' VAL . 55.8 mttm -43.33 -36.93 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 102' ' ' MET . 1.4 mm? -67.63 -67.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' LEU . 34.7 m -36.72 -30.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.58 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.0 OUTLIER -81.71 -49.15 10.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 99' ' ' LYS . 58.3 t -62.58 -49.47 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 10.7 ptp -53.38 -36.29 61.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.594 ' CD1' HG13 ' A' ' 85' ' ' VAL . 28.3 t80 -75.15 -40.97 59.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.0 mt -63.07 -26.72 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.1 m -60.13 -42.02 93.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.869 ' HB3' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -54.45 -40.02 67.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -81.22 -55.52 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -39.68 -49.77 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -68.56 -42.79 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.568 HD21 ' CD1' ' A' ' 80' ' ' PHE . 13.2 tp -55.55 -44.89 77.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.53 ' CE2' HG22 ' A' ' 46' ' ' ILE . 3.4 m-85 -73.34 -52.44 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -74.48 108.08 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -143.55 73.34 0.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.2 t -140.3 140.99 24.53 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.565 0.698 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 171.42 14.47 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 118' ' ' LEU . 2.7 pp -69.72 157.63 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -127.08 142.88 45.07 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.638 0.733 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 109.64 2.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.25 . . . . 0.0 112.385 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -93.19 118.97 31.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -78.22 99.8 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.8 52.6 0.32 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -103.9 142.03 35.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.369 . . . . 0.0 110.814 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -101.2 140.29 35.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.99 -145.4 18.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -146.78 136.78 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 12' ' ' SER . 96.1 mt -76.55 115.72 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.53 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 41.8 mtm180 -70.98 -58.39 4.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.578 0.704 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.9 Cg_endo -69.79 15.89 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.694 2.262 . . . . 0.0 112.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.504 ' N ' HG22 ' A' ' 9' ' ' ILE . 88.8 p -58.98 -64.57 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.46 -54.97 18.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.832 HD22 HG13 ' A' ' 103' ' ' VAL . 38.9 tp -44.56 -56.69 4.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 tp -49.94 -52.34 34.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -39.46 -60.81 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 47.6 t90 -51.84 -61.54 2.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.434 ' O ' HG23 ' A' ' 22' ' ' THR . 70.9 m -45.34 -42.35 9.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -69.12 -43.02 75.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -60.21 -50.41 73.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 4.2 mm100 -64.24 -47.53 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 18' ' ' CYS . 39.7 p -64.54 -35.03 79.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -39.54 137.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.34 -44.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -49.8 144.64 6.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -84.41 138.68 32.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 m170 61.73 26.39 16.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -126.97 92.46 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -108.84 85.12 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG21 HG21 ' A' ' 22' ' ' THR . 64.8 t -75.8 106.53 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 38.8 p -117.33 -33.97 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -122.03 -177.84 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 20.9 mt -117.06 14.11 14.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 p -117.17 -60.9 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -77.32 -46.1 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -48.15 -34.49 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.549 ' CZ3' ' CD2' ' A' ' 106' ' ' LEU . 1.4 m95 -109.46 36.13 3.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -85.39 -39.06 18.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.597 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 12.4 t -87.89 -41.54 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 128.88 -36.06 2.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' GLY . 62.5 mt -36.08 -53.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.47 -61.28 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.3 tp -64.94 -46.94 79.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 83.8 m -50.77 -34.12 26.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.34 -48.37 81.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -57.54 -50.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.464 ' HB ' HD12 ' A' ' 55' ' ' ILE . 77.8 mt -59.92 -58.79 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -50.5 -43.82 55.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.9 tpt85 -41.56 -63.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CD1' ' CE1' ' A' ' 113' ' ' PHE . 78.0 m-85 -70.03 -48.44 57.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -128.9 89.47 48.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.709 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -13.97 35.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.65 2.233 . . . . 0.0 112.401 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.14 -36.0 71.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.0 mt -67.56 -44.74 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.569 ' CG2' HD11 ' A' ' 60' ' ' LEU . 56.7 mt -130.2 133.05 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -111.75 96.63 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.76 ' HA ' HD12 ' A' ' 60' ' ' LEU . 4.8 t80 -47.3 -48.51 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -45.28 -36.11 3.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.5 t -83.58 -37.39 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 57' ' ' PHE . 72.8 mt -52.82 118.58 3.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 1.1 t30 -100.66 113.24 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -43.16 -46.0 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 5.4 t70 -61.16 -31.91 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' ASN . 12.6 m-20 -88.09 45.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 39' ' ' SER . . . -45.34 -55.17 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -43.35 -57.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -58.32 -49.9 75.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -51.0 -59.96 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' GLN . 61.4 m-20 -51.25 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' ASN . 3.7 tp60 -36.37 -47.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.64 -61.68 2.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.84 -52.47 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 22.7 m-85 -56.61 -48.41 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.57 -59.32 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.1 t -47.75 -41.46 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -66.79 -34.41 77.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -80.32 -15.8 56.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -98.55 -27.93 13.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -105.41 -55.22 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.489 ' CD1' HD21 ' A' ' 112' ' ' LEU . 16.4 m-85 -83.77 -20.69 32.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 68.55 36.91 84.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.432 HD12 ' CE1' ' A' ' 109' ' ' PHE . 82.4 mt -108.87 124.12 35.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 111.127 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.8 41.17 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 152.8 69.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.6 m -97.83 -32.65 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.4 t -138.17 162.41 34.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.7 p -89.8 140.05 29.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.34 -36.49 4.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.44 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -62.51 -50.93 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -68.57 -39.5 80.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.3 tpt -51.41 -43.53 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.38 -38.76 15.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -60.59 -61.26 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.84 116.55 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -50.98 -58.34 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.403 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 26.7 tt0 -127.22 105.83 21.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 53.8 Cg_endo -69.74 176.75 6.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.52 142.56 39.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.473 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -77.99 -30.39 50.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -73.76 -65.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 104' ' ' MET . 32.6 m -41.04 -40.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -61.62 -57.76 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.832 HG13 HD22 ' A' ' 14' ' ' LEU . 77.9 t -52.61 -65.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 101' ' ' SER . 14.4 ptp -35.87 -32.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' VAL . 41.6 t80 -84.52 -42.42 15.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.549 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 20.4 mt -64.08 -49.08 73.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.2 p -45.58 -52.07 11.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.17 -44.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.432 ' CE1' HD12 ' A' ' 82' ' ' ILE . 23.3 m-85 -74.66 -46.57 37.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -42.19 -58.25 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.95 -57.46 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.489 HD21 ' CD1' ' A' ' 80' ' ' PHE . 16.6 tp -45.26 -62.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 50' ' ' PHE . 30.8 m-85 -56.87 -51.39 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -49.48 -70.02 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 173.31 -123.31 0.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -138.72 140.87 28.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 166.21 28.37 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.383 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 17.4 mt -145.87 152.53 39.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -143.28 143.72 25.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 150.91 68.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.875 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 t -132.43 106.19 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 110.876 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p -173.69 168.33 4.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.82 105.78 0.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -94.96 145.11 25.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -142.3 139.12 31.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.93 -111.32 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -68.69 169.9 10.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.769 0.318 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.489 ' HB ' ' CB ' ' A' ' 12' ' ' SER . 20.5 mt -77.07 120.53 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.547 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 33.9 mtt180 -71.76 -56.89 4.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 53.9 Cg_endo -69.76 14.89 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.489 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 1.8 t -88.55 -56.24 3.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -60.02 -45.92 91.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD12 ' CG ' ' A' ' 110' ' ' TYR . 27.6 tp -48.19 -62.12 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.5 tp -39.94 -51.31 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.8 m -43.96 -58.02 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -49.64 -61.77 1.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.4 m -46.87 -51.47 16.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.78 -45.04 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -63.14 -55.83 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -49.02 -44.64 41.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.8 p -93.44 36.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -91.54 117.58 29.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 113.39 -46.13 1.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' GLY . 8.8 m-85 -36.04 148.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.959 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.441 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -90.01 146.7 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 m170 54.74 31.76 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' GLN . 57.0 t -128.24 93.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.89 111.97 23.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -101.14 104.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.8 p -111.93 -38.89 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -128.59 -175.67 3.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 21.4 mt -114.74 19.62 15.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 p -130.91 -32.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.9 p -97.3 -47.79 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.537 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 20.3 p -58.73 -11.73 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.537 ' CD1' ' OG ' ' A' ' 36' ' ' SER . 10.1 m95 -119.08 18.12 13.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -74.55 -43.68 54.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.476 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 16.2 t -78.03 -40.83 37.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' CA ' ' OD1' ' A' ' 69' ' ' ASN . . . 118.14 -38.15 3.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.448 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 67.0 mt -36.39 -56.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -33.99 -67.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.97 -52.2 65.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.435 ' HB3' HG21 ' A' ' 55' ' ' ILE . 81.2 m -46.79 -37.35 8.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.31 -48.68 80.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.61 -43.02 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.629 ' HB ' HD12 ' A' ' 55' ' ' ILE . 47.5 mt -71.95 -56.62 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -49.5 -47.98 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -64.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -69.3 -51.03 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.483 ' HB2' HD12 ' A' ' 54' ' ' LEU . 5.2 mmp_? -124.15 90.59 50.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.51 29.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.81 -30.82 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 51' ' ' ARG . 59.6 mt -72.6 -44.43 62.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.629 HD12 ' HB ' ' A' ' 47' ' ' ILE . 80.8 mt -131.44 134.38 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.407 HD22 ' CB ' ' A' ' 59' ' ' SER . 40.9 t30 -109.2 88.1 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.723 ' HA ' HD12 ' A' ' 60' ' ' LEU . 8.0 t80 -46.15 -52.32 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -39.75 -38.56 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.407 ' CB ' HD22 ' A' ' 56' ' ' ASN . 3.2 m -77.51 -41.85 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 57' ' ' PHE . 57.6 mt -50.39 119.72 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -110.08 119.11 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 63' ' ' ASP . 2.7 pp20? -35.01 -52.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.483 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 26.6 t70 -55.19 -41.9 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ASN . 17.9 m-20 -79.76 43.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' VAL . . . -47.63 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' ALA . 92.4 t -37.39 -57.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -56.99 -50.46 72.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.432 ' OD1' HD22 ' A' ' 60' ' ' LEU . 88.7 m-20 -52.5 -59.41 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 39' ' ' SER . 58.1 m-20 -55.44 -59.46 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -46.42 -46.05 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 60' ' ' LEU . 40.5 tp -51.52 -64.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.78 -50.44 25.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -54.85 -49.3 71.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.86 -43.04 99.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.9 t -64.97 -36.8 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLY . . . -70.68 -30.67 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -86.21 -15.96 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.13 -33.26 10.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -97.53 -55.09 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -86.48 -23.12 26.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 72.88 30.57 63.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.446 HD12 ' CE1' ' A' ' 109' ' ' PHE . 50.6 mt -100.74 120.73 54.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.158 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.79 11.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.411 ' HA ' ' CE1' ' A' ' 105' ' ' TYR . 54.1 Cg_endo -69.77 142.79 48.85 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.2 m -79.84 -31.0 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -138.14 158.3 44.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' GLY . 72.9 p -96.36 139.58 32.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -36.58 -48.35 1.26 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -47.97 -52.31 20.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.91 -42.33 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.5 tpt -47.82 -39.8 19.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.78 -38.74 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -62.94 -61.77 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.25 112.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -43.25 -57.25 3.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -135.52 114.79 11.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.645 0.736 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.75 10.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.84 127.57 32.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 103' ' ' VAL . 18.3 ttmm -60.52 -46.2 91.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.39 -66.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 104' ' ' MET . 7.5 t -40.67 -43.42 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 55.1 mmm -67.06 -54.2 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 99' ' ' LYS . 95.5 t -52.34 -47.84 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 105' ' ' TYR . 18.1 ptp -60.68 -40.61 92.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.463 ' N ' ' HG3' ' A' ' 104' ' ' MET . 51.4 t80 -66.36 -57.78 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.9 mt -50.03 -50.07 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 t -42.42 -36.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HD3' HG21 ' A' ' 82' ' ' ILE . 22.1 mtpt -54.37 -45.05 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.446 ' CE1' HD12 ' A' ' 82' ' ' ILE . 30.2 m-85 -77.33 -44.61 28.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.444 ' CG ' HD12 ' A' ' 14' ' ' LEU . 7.7 t80 -43.81 -59.03 2.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -68.47 -43.35 77.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.5 tp -43.76 -46.4 7.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -92.93 -52.21 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -55.55 -65.22 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -175.53 109.28 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.5 p -74.87 150.98 86.43 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 130.68 19.79 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.8 mt -102.08 42.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -100.37 130.51 25.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 148.44 64.81 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.689 2.26 . . . . 0.0 112.308 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.905 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -135.45 173.38 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.959 0.409 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -88.45 160.13 17.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.14 160.06 0.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -140.72 159.07 43.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.919 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -47.01 134.99 9.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.59 -65.44 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.3 40.6 11.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 12' ' ' SER . 3.7 mp -82.13 132.62 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.527 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 42.5 mtm-85 -69.05 -58.33 6.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 54.0 Cg_endo -69.75 10.67 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.455 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -62.27 -47.78 82.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -51.1 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -51.89 -56.34 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.6 tp -49.2 -51.77 30.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.1 m -45.72 -59.61 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -49.29 -52.44 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.5 m -54.52 -51.55 64.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -48.44 -47.0 38.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -58.0 -49.09 78.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -55.4 -49.06 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.545 HG22 ' HB3' ' A' ' 45' ' ' ALA . 68.0 p -85.71 34.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -83.32 137.08 34.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 90.01 -41.29 2.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.541 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' GLY . 22.3 m-85 -36.74 135.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -82.71 144.38 30.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 58.45 25.23 12.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -125.66 100.64 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -118.68 90.13 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.2 t -76.96 123.04 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 t -131.49 -32.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.85 -175.21 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.519 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 12.1 mt -119.91 32.98 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.1 p -128.18 -57.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.2 p -86.06 -42.71 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 4.4 m -52.51 -32.29 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CD1' ' HA ' ' A' ' 33' ' ' LEU . 2.8 m95 -109.72 33.25 4.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HA ' ' HE3' ' A' ' 91' ' ' MET . 25.7 ptt-85 -87.24 -39.11 15.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 47.7 t -87.62 -39.3 15.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 124.71 -36.12 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' GLY . 93.6 mt -35.71 -48.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 36' ' ' SER . . . -44.8 -63.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.7 tp -61.61 -55.21 33.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 69.3 m -43.45 -34.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.545 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -62.06 -49.04 77.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -57.64 -55.11 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.467 ' HB ' HD12 ' A' ' 55' ' ' ILE . 79.0 mt -55.74 -61.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -38.56 -49.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -45.69 -56.71 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -68.96 -54.57 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -126.17 89.39 52.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -6.47 18.66 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -80.79 -38.04 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.2 mt -68.22 -42.9 79.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.739 ' CG2' HD11 ' A' ' 60' ' ' LEU . 68.4 mt -125.51 140.84 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.3 m-20 -114.35 79.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.7 ' HA ' HD12 ' A' ' 60' ' ' LEU . 5.0 t80 -40.78 -46.92 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.91 -38.56 70.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' ASN . 5.6 t -80.23 -32.73 38.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.739 HD11 ' CG2' ' A' ' 55' ' ' ILE . 97.1 mt -54.91 118.89 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.534 ' ND2' ' H ' ' A' ' 63' ' ' ASP . 1.0 OUTLIER -102.49 117.92 35.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' N ' HD22 ' A' ' 61' ' ' ASN . 1.4 pt-20 -39.55 -49.28 2.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.534 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 19.2 t0 -55.53 -36.91 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -81.55 40.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.96 -47.52 52.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.8 t -48.71 -53.19 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -65.39 -47.23 77.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -51.52 -55.44 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 39' ' ' SER . 67.3 m-20 -57.38 -63.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -44.88 -39.87 5.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.1 tp -60.88 -66.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.13 -44.38 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -64.57 -54.33 33.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.92 -44.51 70.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.38 -38.57 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.92 59.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.069 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -95.89 -11.87 26.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -103.75 -34.0 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.73 -45.25 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.438 ' N ' ' CD1' ' A' ' 80' ' ' PHE . 4.3 m-85 -98.09 -23.07 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.84 54.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.9 mt -99.75 119.63 59.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 124.87 11.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.32 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.66 51.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.2 m -80.87 -31.17 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.589 HG21 ' SD ' ' A' ' 91' ' ' MET . 9.4 t -136.05 152.19 50.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 88' ' ' GLY . 71.1 p -94.8 132.92 39.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 87' ' ' THR . . . -34.92 -49.05 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -64.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -65.43 -46.41 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.589 ' SD ' HG21 ' A' ' 86' ' ' THR . 10.6 tpt -41.2 -52.8 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.7 -38.78 90.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.6 m -57.48 -61.69 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.28 124.34 15.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -69.55 -51.63 33.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 9.1 tt0 -125.02 103.52 30.36 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 96' ' ' GLU . 54.1 Cg_endo -69.72 -176.11 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' LYS . 2.2 m-20 -88.88 104.78 17.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.768 ' O ' HG23 ' A' ' 103' ' ' VAL . 14.0 ttmt -38.1 -40.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.25 -67.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 t -38.76 -44.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.7 mmm -65.66 -48.56 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 99' ' ' LYS . 88.6 t -60.04 -50.81 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.6 ptm -60.55 -39.09 86.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.46 -44.89 73.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 103' ' ' VAL . 20.1 mt -53.76 -51.77 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.5 p -39.88 -39.15 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -43.71 -47.19 7.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -84.17 -50.78 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.523 ' CZ ' ' HD3' ' A' ' 114' ' ' ARG . 77.1 t80 -39.8 -54.84 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -60.1 -58.59 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.2 tp -45.14 -61.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -58.13 -52.29 66.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.523 ' HD3' ' CZ ' ' A' ' 110' ' ' TYR . 26.1 ttp180 -68.08 103.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.55 72.35 0.43 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 t -136.49 140.87 33.64 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.567 0.699 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 112.23 3.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -72.23 153.81 41.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -96.5 140.22 22.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 133.22 24.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.297 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.924 . . . . . . . . 0 0 . 1 stop_ save_